SCHEMBL3303532

SCHEMBL3303532

OCC1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
NOTUM Q6P988 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DEGS1 O15121 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL27714650 0.89 NOTUM (0.55) HRH3NOTUMALDH1A1MAPTMAPK1
SCHEMBL8133600 0.86 HRH3 (0.50) HRH3NOTUMALDH1A1MAPTMAPK1
SCHEMBL1816609 0.83 NOTUM (0.41) HRH3NOTUMDEGS1CYP3A4CYP2C19
SCHEMBL10642901 0.81 ADRB1 (0.53) ALDH1A1MAPTNPSR1
SCHEMBL14862764 0.81 LTA4H (0.45) HRH3
SCHEMBL27624590 0.81 HRH3 (0.52) HRH3NOTUMALDH1A1MAPTMAPK1
SCHEMBL6694318 0.81 HTR3E (0.53) NOTUMALDH1A1MAPTMAPK1LMNA
SCHEMBL3301450 0.81 BPTF (0.54) HRH3NOTUMALDH1A1MAPTMAPK1
SCHEMBL520612 0.81 MAPT (0.50) ALDH1A1MAPTMAPK1LMNAHTT
SCHEMBL2046676 0.81 SLC6A2 (0.49) ALDH1A1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952300-B 5-or 8-substituted imidazo [1,5-a ] pyridines 百济神州有限公司 2022-01-18 CN disclosed
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3371196-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION UNIV MONTREAL (CA) 2021-10-27 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
US-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARM INC (US) 2021-02-23 US disclosed
US-10919874-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (KY) 2021-02-16 US disclosed
US-20190382370-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2019-12-19 US disclosed
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2019-08-29 US disclosed
US-10370354-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (KY) 2019-08-06 US disclosed
CN-109952300-A As indoleamine 2, imidazo [1,5-a] pyridine of the novel 5 or 8- substitution of 3- dioxygenase enzyme and/or tryptophan 2,3- dioxygenase enzyme selectivity inhibitor 百济神州有限公司 2019-06-28 CN disclosed
US-9309273-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 WO disclosed
US-20140349973-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC (US) 2014-11-27 US disclosed
US-20140349973-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC (US) 2014-11-27 US disclosed
WO-2013090210-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-06-20 WO disclosed
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
EP-0915881-A1 PYRROLOAZEPINE COMPOUNDS SUNTORY LIMITED (JP) 1999-05-19 EP disclosed
WO-1998041527-A1 PYRROLOAZEPINE COMPOUNDS SUNTORY LIMITED (JP) 1998-09-24 WO disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
EP-0291244-A1 Cyclic carbamate derivatives A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-11-17 EP 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 (7 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-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 HRH3 2899/4885NOTUM 770/4885ALDH1A1 1342/4885
US-20190382370-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GAA, GPX1 HRH3 4545/4885NOTUM 998/4885ALDH1A1 330/4885
US-10919874-B2 Metalloenzyme inhibitor compounds MMEL1, GAA, GPX1 HRH3 4545/4885NOTUM 998/4885ALDH1A1 330/4885
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS CHUK, IKBKB, IKBKE HRH3 3750/4885NOTUM 2834/4885ALDH1A1 4380/4885
US-10370354-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO HRH3 4559/4885NOTUM 1126/4885ALDH1A1 289/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 HRH3 2899/4885NOTUM 770/4885ALDH1A1 1342/4885
US-20140349973-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO HRH3 4559/4885NOTUM 1126/4885ALDH1A1 289/4885

“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.