SCHEMBL7224482

SCHEMBL7224482

Cc1cc(Cl)c2c(c1)CCCN2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ MPI P34949 1/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ PDE7A Q13946 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ GLA P06280 1/20 0.33

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
SCHEMBL10912284 0.81 HDAC4 (0.44) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL10912832 0.81 KDM4E (0.41) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL3713818 0.81 MEN1 (0.49) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL10909321 0.78 ALDH1A1 (0.42) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL2333372 0.78 KDM4E (0.34) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL4947965 0.78 KDM4E (0.33) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL1536877 0.78 ALDH1A1 (0.36) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL5321215 0.78 KDM4E (0.39) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL23546707 0.75 KDM4E (0.33) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL10909711 0.74 KDM4E (0.42) KDM4EALDH1A1GAAHSD17B10MAPT

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 6 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
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
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
CN-1278819-A Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone (crh) antagonists, useful for treating and stress-related DU PONT PHARM CO (US) 2001-01-03 — — CN disclosed
EP-0173208-A1 Tetrahydroquinolin-1-yl-carbonyl-imidazole derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-05 — — 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 (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 KDM4E 4544/4885ALDH1A1 4453/4885GAA 4086/4885

“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.

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