SCHEMBL5131273

SCHEMBL5131273

O=C(Nc1cccc(F)c1)N1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.57
USP2 O75604 8/20 0.57
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 5/20 0.55
CYP2D6 P10635 4/20 0.55
CYP1A2 P05177 4/20 0.55
HIF1A Q16665 2/20 0.53
NPC1 O15118 1/20 0.52
FAAH O00519 1/20 0.51
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL5129597 0.91 CYP2D6 (0.55) CYP3A4USP2ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL5117788 0.91 LMNA (0.55) CYP3A4USP2ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL5124412 0.89 USP2 (0.55) CYP3A4USP2ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL5130354 0.89 ALDH1A1 (0.54) CYP3A4USP2ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL5121555 0.89 CYP1A2 (0.57) CYP3A4USP2ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL5121795 0.89 CYP2D6 (0.52) CYP3A4USP2ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL5123588 0.89 CACNA1H (0.49) ALDH1A1SMN1; SMN2CYP2C19NPC1FAAH
SCHEMBL5120071 0.88 ALDH1A1 (0.54) ALDH1A1CYP2C19FAAHTSHRPOLB
SCHEMBL5123635 0.88 NPSR1 (0.54) USP2ALDH1A1SMN1; SMN2NPC1FAAH
SCHEMBL5124669 0.88 POLB (0.49) ALDH1A1FAAHPOLB

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 CYP3A4 2391/4885USP2 4861/4885ALDH1A1 511/4885

“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.