SCHEMBL894904

SCHEMBL894904

c1ccc(C2COCC[N]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.43
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.36
ADRA2A P08913 3/20 0.35
MAOB P27338 8/20 0.34
MAOA P21397 7/20 0.34
KDM1A O60341 5/20 0.34
CYP2C19 P33261 4/20 0.34
CYP2B6 P20813 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2A6 P11509 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 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
SCHEMBL7061062 0.82 CYP1A2 (0.32) MAPTCYP2C19CYP1A2
SCHEMBL4972612 0.81 KDM1A (0.32) MAPTKDM1AHTR2CRAB9A
SCHEMBL5537151 0.81 TAAR1 (0.46) TAAR1MAOBKDM1ASLC6A2SLC6A3
SCHEMBL4972144 0.81 KDM1A (0.38) KDM1ALMNASLC6A2HTR2CSLC6A3
SCHEMBL4971045 0.80 CYP2A6 (0.46) TSHRCYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL7353488 0.79 TAAR1 (0.51) TAAR1TSHRMAPTMAOBMAOA
SCHEMBL4979245 0.74 TAAR1 (0.49) TAAR1TSHRMAPTMAOBMAOA
SCHEMBL4723659 0.72 KDM1A (0.45) MAPTKDM1ASLC6A2SLC6A3ALDH1A1
SCHEMBL3637659 0.72 NOS3 (0.39) MAPTHSD17B10ALDH1A1
SCHEMBL4779844 0.71 ALDH1A1 (0.33) MAPTLMNAHSD17B10ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US claimed
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US claimed
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2011-10-27 US claimed
US-7977485-B2 2-heteroaryl carboxamides BAYER SCHERING PHARMA AKTIENGESELLSHAFT (DE) 2011-07-12 US claimed
US-6743788-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; AUTOIMMUNE DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-01 US claimed
US-20040067945-A1 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-04-08 US claimed
US-20030186978-A1 Novel telomerase inhibitors PHARMACIA ITALIA, SPA (IT) 2003-10-02 US claimed
WO-2001096339-A1 NOVEL TELOMERASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2001-12-20 WO claimed
WO-2024148184-A1 COMPOUNDS AND PROCESSES FOR THE PREPARATION OF JAK INHIBITORS AERIE PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed
EP-4363058-A1 AZETIDINYL PYRIMIDINES AND USES THEREOF Aerie Pharmaceuticals, Inc. (US) 2024-05-08 EP disclosed
CN-117642395-A Azetidinyl pyrimidines and their use 爱瑞制药公司 2024-03-01 CN disclosed
WO-2024006916-A1 AZETIDINYL PYRIMIDINES AND USES THEREOF AS JAK INHIBITORS AERIE PHARMACEUTICALS, INC. (US) 2024-01-04 WO disclosed
US-20240002392-A1 Azetidinyl Pyrimidines and Uses Thereof ALCON INC. (CH) 2024-01-04 US disclosed
WO-2023279105-A1 AZETIDINYL PYRIMIDINES AND USES THEREOF AERIE PHARMACEUTICALS, INC. (US) 2023-01-05 WO disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 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 (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-20240002392-A1 Azetidinyl Pyrimidines and Uses Thereof JAK2, JAK1, JAK3 TAAR1 4049/4885TSHR 3330/4885MAPT 4314/4885
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C TAAR1 451/4885TSHR 4355/4885MAPT 647/4885
US-20030186978-A1 Novel telomerase inhibitors TERT, TERF2IP, TERF2 TAAR1 3797/4885TSHR 2517/4885MAPT 2080/4885
US-20040067945-A1 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors PDE3B, PDE3A, PDE2A TAAR1 1454/4885TSHR 3349/4885MAPT 2747/4885
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C TAAR1 451/4885TSHR 4355/4885MAPT 647/4885

“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.