SCHEMBL12419692

SCHEMBL12419692

COc1ccc(CN2CCN(c3nccc(Cl)n3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.50
▸ GAA P10253 1/20 0.43
▸ CMA1 P23946 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ SCD O00767 5/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ CLPP Q16740 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PANK3 Q9H999 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ GRM2 Q14416 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
SCHEMBL12419691 0.87 HDAC1 (0.52) HDAC1GAACMA1PKMSCD
SCHEMBL2192142 0.87 DRD2 (0.43) HDAC1PKMSCDALDH1A1SMN1; SMN2
SCHEMBL12419690 0.81 HDAC1 (0.50) HDAC1GAACMA1PKMSCD
SCHEMBL12419689 0.78 HDAC1 (0.52) HDAC1GAACMA1PKMSCD
SCHEMBL2194058 0.73 KMT2A (0.41) HDAC1PKMALDH1A1SMN1; SMN2
SCHEMBL7823979 0.73 HDAC1 (0.56) HDAC1GAACMA1PKMSCD
SCHEMBL2191764 0.72 HDAC1 (0.53) HDAC1GAACMA1PKMSCD
SCHEMBL347271 0.71 SCD (0.79) HDAC1GAASCDALDH1A1CYP1A2
SCHEMBL8913255 0.71 HDAC1 (0.67) HDAC1GAAPKMRAB9AALDH1A1
SCHEMBL22574233 0.70 HDAC1 (0.55) HDAC1GAACMA1PKMSCD

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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists SB PHARMCO PUERTO RICO INC 2011-07-14 — — US disclosed
US-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists SB PHARMCO PUERTO RICO INC 2011-07-14 — — US disclosed
US-7427630-B2 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SB PHARMACO PUERTO RICO INC. (US) 2008-09-23 — — US disclosed
US-7427630-B2 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SB PHARMACO PUERTO RICO INC. (US) 2008-09-23 — — US disclosed
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 — — US disclosed
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 — — 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 (2 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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists CRH, CRHR1, CRHR2 HDAC1 595/4885GAA 3259/4885CMA1 649/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 HDAC1 1114/4885GAA 4779/4885CMA1 2476/4885

“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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