SCHEMBL5117788

SCHEMBL5117788

O=C(Nc1cccc(F)c1)N1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP2D6 P10635 4/20 0.53
CYP2C19 P33261 4/20 0.53
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 6/20 0.52
USP2 O75604 7/20 0.51
CYP3A4 P08684 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CYP2C9 P11712 3/20 0.49
CACNA1H O95180 3/20 0.47
HIF1A Q16665 1/20 0.46
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL5121321 0.91 NPSR1 (0.54) LMNAMAPTHTTNPSR1ALDH1A1
SCHEMBL5131273 0.91 CYP3A4 (0.57) CYP2D6CYP2C19CYP1A2ALDH1A1USP2
SCHEMBL5129597 0.90 CYP2D6 (0.55) CYP2D6CYP2C19CYP1A2ALDH1A1USP2
SCHEMBL5124412 0.89 USP2 (0.55) CYP2D6CYP2C19CYP1A2ALDH1A1USP2
SCHEMBL5124253 0.89 SMN1; SMN2 (0.54) LMNAMAPTHTTNPSR1ALDH1A1
SCHEMBL5130969 0.88 KMT2A (0.51) LMNAMAPTHTTNPSR1ALDH1A1
SCHEMBL5120013 0.88 ALDH1A1 (0.49) LMNACYP2D6CYP2C19CYP1A2ALDH1A1
SCHEMBL5130357 0.88 TRPV1 (0.49) LMNAMAPTHTTCYP1A2USP2
SCHEMBL5121795 0.88 CYP2D6 (0.52) CYP2D6CYP2C19CYP1A2ALDH1A1USP2
SCHEMBL5116036 0.87 ALDH1A1 (0.47) LMNAMAPTHTTNPSR1ALDH1A1

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 LMNA 875/4885MAPT 161/4885HTT 50/4885

“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.