SCHEMBL5126872

SCHEMBL5126872

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
PANK3 Q9H999 9/20 0.50
TRPM8 Q7Z2W7 1/20 0.48
TRPV1 Q8NER1 3/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL5121281 0.92 NPC1 (0.51) RAB9ANPC1PANK3TRPV1SMN1; SMN2
SCHEMBL5123541 0.91 NPC1 (0.52) RAB9ANPC1PANK3TRPV1SMN1; SMN2
SCHEMBL5117044 0.90 TRPM8 (0.52) RAB9ANPC1TRPM8TRPV1SMN1; SMN2
SCHEMBL5128916 0.90 TRPM8 (0.52) RAB9ANPC1TRPM8TRPV1SMN1; SMN2
SCHEMBL5116190 0.89 NPC1 (0.48) RAB9ANPC1PANK3TRPM8TRPV1
SCHEMBL5124061 0.89 NPC1 (0.48) RAB9ANPC1PANK3TRPM8TRPV1
SCHEMBL5119901 0.89 PANK3 (0.53) RAB9ANPC1PANK3TRPM8TRPV1
SCHEMBL16175751 0.88 TRPM8 (0.49) RAB9ANPC1TRPM8TRPV1SMN1; SMN2
SCHEMBL5128806 0.88 HPGD (0.48) RAB9ANPC1TRPM8SMN1; SMN2
SCHEMBL5125112 0.88 TSHR (0.50) RAB9ANPC1TRPM8SMN1; 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
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 RAB9A 2540/4885NPC1 785/4885PANK3 3866/4885

“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.