SCHEMBL5115812

SCHEMBL5115812

Cc1ccc(C2=NOC3(CCN(C(=O)Nc4cccc(C)c4)CC3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 2/20 0.53
FAAH O00519 3/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NLRP3 Q96P20 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TACR1 P25103 1/20 0.44
LIMK2 P53671 1/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 2/20 0.43
HSD17B10 Q99714 1/20 0.43
S1PR2 O95136 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL5120071 0.94 ALDH1A1 (0.54) ALDH1A1RAB9AFAAHMAPTNPSR1
SCHEMBL5124253 0.93 SMN1; SMN2 (0.54) ALDH1A1RAB9AFAAHTRPM8MAPT
SCHEMBL5117051 0.91 ALDH1A1 (0.49) ALDH1A1RAB9AFAAHMAPTSMN1; SMN2
SCHEMBL5129735 0.91 ALDH1A1 (0.51) ALDH1A1RAB9AFAAHTRPM8MAPT
SCHEMBL5129597 0.91 CYP2D6 (0.55) ALDH1A1SMN1; SMN2CYP2D6CYP1A2CYP2C19
SCHEMBL5125112 0.91 TSHR (0.50) ALDH1A1RAB9AFAAHTRPM8MAPT
SCHEMBL5120786 0.91 TACR1 (0.50) ALDH1A1RAB9ATRPM8TACR1CYP1A2
SCHEMBL5130511 0.89 KMT2A (0.43) ALDH1A1RAB9AFAAHTRPM8MAPT
SCHEMBL5116074 0.89 SMN1; SMN2 (0.57) ALDH1A1RAB9AFAAHMAPTSMN1; SMN2
SCHEMBL5119376 0.89 MAPT (0.53) ALDH1A1RAB9ATRPM8MAPTKMT2A

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
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 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 (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-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders INA, SCN1A, SI ALDH1A1 511/4885RAB9A 2540/4885FAAH 2115/4885

“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.