SCHEMBL1762686

SCHEMBL1762686

CCc1cccc(CC)c1-c1cc2ccn(-c3ccc(OCc4ccccc4)cc3)c2cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.45
KCNH2 Q12809 10/20 0.45
ROCK1 Q13464 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1762956 0.88 ALDH1A1 (0.41) NPC1RAB9APKMSMN1; SMN2
SCHEMBL1762893 0.87 PTK2 (0.39) ROCK1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL1762608 0.86 EIF2AK4 (0.39) ROCK1NPC1RAB9ASMN1; SMN2
SCHEMBL1763138 0.84 ESR2 (0.39)
SCHEMBL1762932 0.83 FGFR1 (0.37) MCHR1
SCHEMBL1762754 0.83 MCHR1 (0.46) MCHR1KCNH2
SCHEMBL1762560 0.82 KCNH2 (0.39) KCNH2
SCHEMBL1762834 0.82 DGAT1 (0.39) MCHR1KCNH2L3MBTL1
SCHEMBL1762865 0.82 PTK2 (0.35) MCHR1ROCK1NPC1RAB9ASMN1; SMN2
SCHEMBL1762716 0.82 NPC1 (0.35) ROCK1NPC1RAB9ASMN1; 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-8633193-B2 Pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds NOVARTIS AG (CH) 2014-01-21 US disclosed
US-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-05-19 US disclosed
US-7906528-B2 Such as 5-(2,6-diethyl-phenyl)-1H-pyrrolo[2,3-C]pyridine, which binds C5a receptors with high affinity; for treatment of inflammatory, cardiovascular, and immune system disorders; kits NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-15 US disclosed
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds NEUROGEN CORPORATION (US) 2008-10-30 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-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS C5AR1, C5AR2, C3AR1 MCHR1 959/4885KCNH2 1498/4885ROCK1 2019/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 MCHR1 959/4885KCNH2 1498/4885ROCK1 2019/4885

“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.