Sugi Predict

Sugi Predict / Compounds / SCHEMBL359069

SCHEMBL359069

SCHEMBL359069

C[C@@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 0.79
▸ HRH3 Q9Y5N1 1/20 0.58
▸ BCHE P06276 4/20 0.57
▸ BACE1 P56817 4/20 0.57
▸ CCR3 P51677 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ SIGMAR1 Q99720 2/20 0.55
▸ DRD2 P14416 1/20 0.53
▸ DRD4 P21917 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ MC4R P32245 1/20 0.52

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
SCHEMBL1286699 1.00 ACHE (0.79) ACHEHRH3BCHEBACE1CCR3
SCHEMBL358435 1.00 ACHE (0.79) ACHEHRH3BCHEBACE1CCR3
SCHEMBL19709016 0.91 ACHE (0.72) ACHEHRH3BCHEBACE1CCR3
SCHEMBL12717 0.89 CYP3A4 (0.66) ACHEHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL13083 0.89 CYP3A4 (0.66) ACHEHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL5304179 0.89 CYP3A4 (0.66) ACHEHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL156315 0.89 ACHE (1.00) ACHEHRH3BCHEBACE1CCR3
SCHEMBL5851135 0.88 ACHE (0.62) ACHEHRH3CYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL2945383 0.87 ACHE (0.96) ACHEHRH3BCHEBACE1CCR3
SCHEMBL20343616 0.86 ACHE (0.60) ACHEHRH3CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253752-B1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2023-08-16 — — EP disclosed
US-11180492-B2 Anti-parasitic compounds and uses thereof UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2021-11-23 — — US disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 — — US disclosed
WO-2019147782-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 — — WO disclosed
US-20190002463-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2019-01-03 — — US disclosed
WO-2017201468-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-11-23 — — WO disclosed
EP-2355658-B1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ARBUTUS BIOPHARMA CORP (CA) 2017-09-27 — — EP disclosed
US-8653282-B2 Preparation of dihydrothieno [3,2-D] pyrimidines and intermediates used therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 — — US disclosed
US-8445700-B2 Process for the preparation of optically active N-benzyl-3 hydroxypyrrolidines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-21 — — US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 — — US disclosed
EP-1988076-A1 AMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-05 — — EP disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 — — US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 — — US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 — — EP disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 — — US disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 — — WO disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 — — WO disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 — — WO disclosed
US-20070178565-A1 Novel carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION 2007-08-02 — — US disclosed
US-7220564-B2 Carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION (JP) 2007-05-22 — — 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 (6 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-11180492-B2 Anti-parasitic compounds and uses thereof MPO, GOT2, GOT1 ACHE 99/4885HRH3 263/4885BCHE 192/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 ACHE 4786/4885HRH3 1907/4885BCHE 4788/4885
US-20070178565-A1 Novel carbonyl reductase, gene thereof and method of using the same PYCR1, CBR3, CBR1 ACHE 4761/4885HRH3 3680/4885BCHE 2657/4885
US-20190002463-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MPO, GOT2, GOT1 ACHE 99/4885HRH3 263/4885BCHE 192/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 ACHE 655/4885HRH3 1502/4885BCHE 324/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S ACHE 602/4885HRH3 264/4885BCHE 624/4885

“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.