Sugi Predict

Sugi Predict / Compounds / SCHEMBL3865060

SCHEMBL3865060

SCHEMBL3865060

CC[C@H](N)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.59
▸ CHRNA7 P36544 1/20 0.46
▸ ACHE P22303 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ TACR1 P25103 2/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ CHRM2 P08172 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3863807 1.00 SLC6A4 (0.59) SLC6A4CHRNA7ACHETDP1LMNA
SCHEMBL8286101 1.00 SLC6A4 (0.59) SLC6A4CHRNA7ACHETDP1LMNA
Hydrochloric Acid SCHEMBL4933575 0.98 SLC6A4 (0.57) SLC6A4CHRNA7ACHETDP1LMNA
Hydrochloric Acid SCHEMBL4935216 0.98 SLC6A4 (0.57) SLC6A4CHRNA7ACHETDP1LMNA
SCHEMBL23092069 0.89 SLC6A4 (0.70) SLC6A4TDP1LMNAALDH1A1CYP1A2
SCHEMBL20280630 0.88 SLC6A4 (0.48) SLC6A4CHRNA7LMNAALDH1A1SMN1; SMN2
SCHEMBL20209645 0.84 SLC6A4 (0.46) SLC6A4CHRNA7CYP1A2CYP2D6CYP2C19
SCHEMBL3668921 0.82 CHRNA7 (0.42) SLC6A4CHRNA7ACHETDP1MAOA
SCHEMBL12056799 0.81 SLC2A1 (0.43) SLC6A4CHRNA7ACHETDP1MAOA
SCHEMBL29172465 0.81 SLC2A1 (0.43) SLC6A4CHRNA7ACHETDP1MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780826-B2 Bisamide sarcomere activating compounds and uses thereof AMGEN INC. (US) 2023-10-10 — — US disclosed
EP-2585444-B1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 — — EP disclosed
US-8765744-B2 Azaspirohexanones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 — — US disclosed
WO-2013131018-A1 BIARYL INHIBITORS OF THE SODIUM CHANNEL ZALICUS PHARMACEUTICALS LTD. (US) 2013-09-06 — — WO disclosed
US-20120190675-A1 Azaspirohexanones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-26 — — US disclosed
US-7576234-B2 Michael-type addition of a nucleophile to a dialkyl 2-methylidenylpropan-1,3-dioate and the conversion of a ester moiety into an amino moiety; S)-2-methylcysteine; desferrithiocin GENZYME CORPORATION (US) 2009-08-18 — — US disclosed
EP-1529037-B1 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF GENZYME CORP (US) 2009-07-15 — — EP disclosed
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 — — WO disclosed
US-20080255081-A1 Antioxidant and radical scavenging activity of synthetic analogs of desferrithiocin UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-10-16 — — US disclosed
US-7285670-B2 Synthesis of substituted thiazoline carboxylic acids GENZYME CORPORATION (US) 2007-10-23 — — US disclosed
US-20040132789-A1 Antioxidant and radical scavenging activity of synthetic analogs of desferrithiocin UNIVERSITY OF FLORIDA 2004-07-08 — — US disclosed
US-20040082796-A1 Synthesis of substituted thiazoline carboxylic acids GENZYME CORPORATION 2004-04-29 — — US disclosed
US-20040044220-A1 Antioxidant and radical scavenging activity of synthetic analogs of desferrithiocin UNIVERSITY OF FLORIDA 2004-03-04 — — US disclosed
US-20040024224-A1 Synthesis of 2-alkyl amino acids GENZYME CORPORATION (US) 2004-02-05 — — US disclosed
US-20040006224-A1 Synthesis of 2-alkyl amino acids GENZYME CORPORATION 2004-01-08 — — US disclosed
US-20030236435-A1 Synthesis of 2-alkylcysteine via substituted thiazoline ester GENZYME CORPORATION 2003-12-25 — — US disclosed
US-20030236434-A1 Synthesis of 2-alkylcysteine via substituted thiazoline amide GENZYME CORPORATION (US) 2003-12-25 — — US disclosed
US-20030236404-A1 Synthesis of 2-alkylcysteine via phase transfer catalysis GENZYME CORPORATION 2003-12-25 — — US disclosed
US-20030229231-A1 Synthesis of 2-alkylcysteine GENZYME CORPORATION 2003-12-11 — — US disclosed
US-20030225287-A1 Synthesis of chiral 2-alkyl amino acids GENZYME CORPORATION 2003-12-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030225287-A1 Synthesis of chiral 2-alkyl amino acids FTH1, CISD2, PTMS SLC6A4 391/4885CHRNA7 4852/4885ACHE 4735/4885
US-20030236404-A1 Synthesis of 2-alkylcysteine via phase transfer catalysis DIMT1, ICMT, CNDP2 SLC6A4 372/4885CHRNA7 4881/4885ACHE 4032/4885
US-11780826-B2 Bisamide sarcomere activating compounds and uses thereof TNNI3, TNNT2, TNNC1 SLC6A4 2425/4885CHRNA7 1027/4885ACHE 2341/4885
US-20030236435-A1 Synthesis of 2-alkylcysteine via substituted thiazoline ester FTH1, TFRC, CNDP2 SLC6A4 553/4885CHRNA7 4770/4885ACHE 4134/4885
US-20030229231-A1 Synthesis of 2-alkylcysteine FTH1, CISD2, CNDP2 SLC6A4 1001/4885CHRNA7 4849/4885ACHE 4735/4885
US-20040044220-A1 Antioxidant and radical scavenging activity of synthetic analogs of desferrithiocin TXNRD2, PRDX3, SOD1 SLC6A4 3352/4885CHRNA7 4871/4885ACHE 4255/4885
US-20040024224-A1 Synthesis of 2-alkyl amino acids PTMS, DNPEP, CNDP2 SLC6A4 846/4885CHRNA7 4874/4885ACHE 4844/4885
US-20120190675-A1 Azaspirohexanones HSD11B1, HSD3B1, HSD17B1 SLC6A4 4494/4885CHRNA7 2485/4885ACHE 2401/4885
US-20080255081-A1 Antioxidant and radical scavenging activity of synthetic analogs of desferrithiocin TXNRD2, PRDX3, SOD1 SLC6A4 3352/4885CHRNA7 4871/4885ACHE 4255/4885
US-20040006224-A1 Synthesis of 2-alkyl amino acids ASNS, AAAS, FTH1 SLC6A4 451/4885CHRNA7 4567/4885ACHE 4802/4885
US-20030236434-A1 Synthesis of 2-alkylcysteine via substituted thiazoline amide CNDP2, FTH1, PTMS SLC6A4 1092/4885CHRNA7 4869/4885ACHE 3826/4885
US-20040132789-A1 Antioxidant and radical scavenging activity of synthetic analogs of desferrithiocin TXNRD2, SOD1, PRDX3 SLC6A4 2968/4885CHRNA7 4879/4885ACHE 4411/4885
US-20040082796-A1 Synthesis of substituted thiazoline carboxylic acids CPN1, NAT1, ME1 SLC6A4 2874/4885CHRNA7 2045/4885ACHE 944/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.