SCHEMBL2191401

SCHEMBL2191401

COc1ccc(CN2CCN(c3ccnc(Cl)n3)C2=O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KMT2A Q03164 7/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ PDE1B Q01064 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ SCD O00767 1/20 0.39
▸ GPR52 Q9Y2T5 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL12419690 0.87 HDAC1 (0.50) ALDH1A1PKMSCDSMN1; SMN2
SCHEMBL2192142 0.83 DRD2 (0.43) DRD2DRD3KCNH2ALDH1A1KMT2A
SCHEMBL2194058 0.79 KMT2A (0.41) DRD2DRD3KCNH2ALDH1A1KMT2A
SCHEMBL23019862 0.76 LCK (0.40) DRD2DRD3KCNH2
SCHEMBL12419689 0.75 HDAC1 (0.52) ALDH1A1PKMSCDSMN1; SMN2
SCHEMBL2192398 0.72 CRHR1 (0.51) GPR52
SCHEMBL19402116 0.70 IDH1 (0.47) —
SCHEMBL12419692 0.69 HDAC1 (0.50) ALDH1A1PKMSCDSMN1; SMN2
SCHEMBL22241436 0.69 ROCK2 (0.43) DRD2DRD3ALDH1A1PKMGPR52
SCHEMBL2191407 0.69 KMT2A (0.56) ALDH1A1KMT2AMEN1LMNASMN1; SMN2

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 4 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
EP-2186813-A1 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SmithKline Beecham (Cork) Limited (IE) 2010-05-19 — — EP 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

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 DRD2 264/4885DRD3 316/4885KCNH2 2993/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 DRD2 193/4885DRD3 171/4885KCNH2 1071/4885

“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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