Sugi Predict

Sugi Predict / Compounds / SCHEMBL350049

SCHEMBL350049

SCHEMBL350049

O=CNCCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C9 P11712 1/20 0.45
▸ LTA4H P09960 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL8763412 0.89 LMNA (0.50) TAAR1CA12CA1CA2CA4
SCHEMBL6078644 0.88 NPC1 (0.49) TAAR1L3MBTL1KDM4EALDH1A1CA12
SCHEMBL8763272 0.83 LMNA (0.46) TAAR1CA12CA1CA2CA4
SCHEMBL25048987 0.80 TAAR1 (0.52) TAAR1L3MBTL1KDM4EALDH1A1CA12
SCHEMBL2807183 0.79 ALDH1A1 (0.50) TAAR1ALDH1A1CA12CA1CA2
SCHEMBL2701814 0.79 TMEM97 (0.55) TAAR1KDM4ECA1CA2LMNA
SCHEMBL4364954 0.79 LMNA (0.44) CYP1A2CYP2D6CYP3A4LMNA
SCHEMBL16404456 0.79 L3MBTL1 (0.50) TAAR1L3MBTL1ALDH1A1LMNA
SCHEMBL2595668 0.79 TAAR1 (0.55) TAAR1CA12CA1CA2CA4
SCHEMBL23266841 0.79 GFER (0.52) ALDH1A1CA12CA1CA2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 — — EP claimed
US-9233964-B2 Sulfamide piperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use therof LEO PHARMA A/S (DK) 2016-01-12 — — US claimed
US-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-12-26 — — US claimed
EP-2661436-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-11-13 — — EP claimed
WO-2012093169-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-07-12 — — WO claimed
EP-0384362-B1 Glycinderivatives HOFFMANN LA ROCHE (CH) 1999-12-15 — — EP claimed
US-5663297-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1997-09-02 — — US claimed
WO-2020249821-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-12-17 — — WO disclosed
EP-3445758-B1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS SCRIPPS RESEARCH INST (US) 2020-11-04 — — EP disclosed
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 — — US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 — — US disclosed
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 — — EP disclosed
US-9233964-B2 Sulfamide piperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use therof LEO PHARMA A/S (DK) 2016-01-12 — — US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 — — US disclosed
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 — — US disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 — — US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 — — US disclosed
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 — — EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 — — US disclosed
US-5663297-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1997-09-02 — — 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 (5 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-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS JAK1, CNKSR1, TSHR TAAR1 34/4885L3MBTL1 2407/4885KDM4E 2862/4885
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 TAAR1 121/4885L3MBTL1 4754/4885KDM4E 3409/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 TAAR1 132/4885L3MBTL1 4794/4885KDM4E 3130/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 TAAR1 2571/4885L3MBTL1 4714/4885KDM4E 2869/4885
US-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 TAAR1 675/4885L3MBTL1 1685/4885KDM4E 855/4885

“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.