SCHEMBL5120071

SCHEMBL5120071

Cc1cccc(NC(=O)N2CCC3(CC2)CC(c2ccccc2)=NO3)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 2/20 0.53
FAAH O00519 4/20 0.52
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
APAF1 O14727 1/20 0.45
GRK2 P25098 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL5115812 0.94 ALDH1A1 (0.54) ALDH1A1RAB9AFAAHNPSR1MAPT
SCHEMBL5124253 0.91 SMN1; SMN2 (0.54) ALDH1A1RAB9AFAAHPOLBKDM4E
SCHEMBL5117051 0.89 ALDH1A1 (0.49) ALDH1A1RAB9AFAAHNPSR1MAPT
SCHEMBL5116111 0.89 SMN1; SMN2 (0.55) ALDH1A1RAB9AFAAHPOLBMAPT
SCHEMBL5130354 0.89 ALDH1A1 (0.54) ALDH1A1FAAHPOLBNPSR1MAPT
SCHEMBL16175506 0.89 ALDH1A1 (0.51) ALDH1A1RAB9AFAAHPOLBKDM4E
SCHEMBL5120786 0.89 TACR1 (0.50) ALDH1A1RAB9A
SCHEMBL5125112 0.89 TSHR (0.50) ALDH1A1RAB9AFAAHMAPTTSHR
SCHEMBL5129896 0.89 TRPM8 (0.51) ALDH1A1RAB9AFAAHKDM4EMAPT
SCHEMBL5131273 0.88 CYP3A4 (0.57) ALDH1A1FAAHPOLBTSHRCYP2C19

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.