SCHEMBL7224170

SCHEMBL7224170

O=C(O)C[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MME P08473 1/20 0.43
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPA3 P15088 1/20 0.41
CPB2 Q96IY4 1/20 0.41
PKLR P30613 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CA2 P00918 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL29964852 0.87 KIF11 (0.49) KIF11
SCHEMBL30510931 0.86 NPSR1 (0.42) MAPTNPSR1MMEALDH1A1CYP2C19
SCHEMBL2021383 0.86 ALDH1A1 (0.48) MAPTNPSR1KDM4EALDH1A1CYP2C19
SCHEMBL2021385 0.86 ALDH1A1 (0.48) MAPTNPSR1KDM4EALDH1A1CYP2C19
SCHEMBL28694554 0.86 ALDH1A1 (0.48) MAPTNPSR1KDM4EALDH1A1CYP2C19
SCHEMBL2604614 0.84 NPSR1 (0.45) NPSR1MMEPKLRCYP2C19HIF1A
SCHEMBL993651 0.84 NPSR1 (0.45) NPSR1MMEPKLRCYP2C19HIF1A
SCHEMBL1899106 0.84 NPSR1 (0.45) NPSR1MMEPKLRCYP2C19HIF1A
SCHEMBL4627982 0.83 NAALAD2 (0.51) GAANPSR1CPA3ALDH1A1CYP2C19
SCHEMBL4627986 0.83 NAALAD2 (0.51) GAANPSR1CPA3ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6525056-B2 A fused nitrogen containing heterocyclic compound useful for treating psychiatric and neurological disorders, anxiety, post-traumatic stress, supranuclear palsy, feeding, immunological, cardiovascular and hypersensitivity disorders BRISTOL-MYERS SQUIBB COMPANY 2003-02-25 US disclosed
US-6448261-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-10 US disclosed
EP-1012151-B1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-08-07 EP disclosed
EP-0935601-A4 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARM CO (US) 2002-08-07 EP disclosed
US-20010025042-A1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone (CRH) antagonists, useful for treating cns and stress-related disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-09-27 US disclosed
US-6245769-B1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone(CRH) antagonists, useful for treating CNS and stress-related disorders DUPONT PHARMACEUTICALS COMPANY 2001-06-12 US disclosed
US-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed
EP-1012151-A1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS Dupont Pharmaceuticals Company (US) 2000-06-28 EP disclosed
EP-0935601-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 1999-08-18 EP disclosed
WO-1999011643-A1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-03-11 WO disclosed
WO-1997035539-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO 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 (1 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-20010025042-A1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone (CRH) antagonists, useful for treating cns and stress-related disorders CRH, CRHR1, CRHR2 MAPT 1315/4885GAA 4086/4885NPSR1 81/4885

“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.