SCHEMBL5117044

SCHEMBL5117044

Cc1ccc(C2=NOC3(CCN(C(=O)Nc4ccc(Cl)cc4)CC3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.52
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TRPV1 Q8NER1 2/20 0.43
CNR1 P21554 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL5128916 1.00 TRPM8 (0.52) TRPM8NPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL5116036 0.95 ALDH1A1 (0.47) TRPM8NPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL5121281 0.90 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TRPV1ALDH1A1
SCHEMBL5126872 0.90 RAB9A (0.51) TRPM8NPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL5128806 0.90 HPGD (0.48) TRPM8NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16175751 0.90 TRPM8 (0.49) TRPM8NPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL5130969 0.90 KMT2A (0.51) TRPM8SMN1; SMN2TRPV1ALDH1A1KDM4E
SCHEMBL5129896 0.89 TRPM8 (0.51) TRPM8NPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL5124900 0.89 ALDH1A1 (0.52) TRPM8NPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL5125112 0.89 TSHR (0.50) TRPM8NPC1RAB9ASMN1; SMN2ALDH1A1

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 TRPM8 426/4885NPC1 785/4885RAB9A 2540/4885

“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.