SCHEMBL4843183

SCHEMBL4843183

NCCc1cccc(CC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.55
DRD2 P14416 1/20 0.55
DRD1 P21728 1/20 0.55
AKR1B1 P15121 1/20 0.54
HTR6 P50406 2/20 0.50
CYP2A6 P11509 1/20 0.50
HTR2A P28223 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR2C P28335 1/20 0.49
ACHE P22303 1/20 0.47
NOS1 P29475 1/20 0.46
SELP P16109 2/20 0.46
SELE P16581 2/20 0.46
SELL P14151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RGS12 O14924 1/20 0.46
LMNA P02545 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
SCHEMBL4402323 0.88 AKR1B1 (0.62) AKR1B1CYP1A2CYP2C19SELPSELE
SCHEMBL18530352 0.87 MAOA (0.55) AKR1B1HTR6SMN1; SMN2CYP1A2CYP2C19
SCHEMBL70565 0.85 AKR1B1 (0.71) AKR1B1CYP1A2CYP2C19SELPSELE
SCHEMBL5264276 0.85 KEAP1 (0.61) TAAR1DRD2DRD1HTR6CYP2A6
SCHEMBL3803115 0.84 AKR1B1 (0.58) AKR1B1SMN1; SMN2LOXL2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL8922940 0.83 AKR1B1 (0.68) AKR1B1CYP1A2CYP2C19SELPSELE
SCHEMBL5968748 0.82 AKR1B1 (0.56) AKR1B1CYP1A2CYP2C19SELPSELE
Hydrochloric Acid SCHEMBL3761585 0.82 AKR1B1 (0.56) AKR1B1SMN1; SMN2LOXL2CYP1A2CYP2C19
SCHEMBL30638471 0.82 KEAP1 (0.63) AKR1B1SMN1; SMN2CYP1A2CYP2C19SELP
SCHEMBL4407150 0.82 KEAP1 (0.63) AKR1B1SMN1; SMN2CYP1A2CYP2C19SELP

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661428-B1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2017-06-07 EP disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 US disclosed
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 EP disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO disclosed
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 EP disclosed
EP-1307447-B1 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
EP-1307447-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2003-05-07 EP disclosed
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GONG LEYI (US) 2002-12-12 US disclosed
US-6479490-B2 TREATMENT OF DISEASES CHARACTERIZED BY EXCESS TH2 CYTOKINES AND/ OR AN EXCESS IGE PRODUCTION. SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta SYNTEX (U.S.A.) LLC 2002-05-02 US disclosed
WO-2002010158-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 WO disclosed
US-4179511-A Antibacterial 3-(5-tetrazolyl) penam compounds PFIZER INC. (US) 1979-12-18 US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US disclosed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 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 (3 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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 TAAR1 509/4885DRD2 186/4885DRD1 86/4885
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL TAAR1 4735/4885DRD2 4815/4885DRD1 4820/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL TAAR1 4612/4885DRD2 4801/4885DRD1 4744/4885

“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.