SCHEMBL5117280

SCHEMBL5117280

COc1cc(C2=NOC3(CCN(C(=O)C=C(c4ccc(C(C)(C)C)cc4)c4ccc(C(F)(F)F)cc4)CC3)C2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
DPP4 P27487 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
STAT3 P40763 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MDM2 Q00987 1/20 0.33
GPR183 P32249 1/20 0.33
MAPK7 Q13164 1/20 0.33
CCR1 P32246 4/20 0.33
MAPT P10636 1/20 0.33
MC4R P32245 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL5015829 0.86 CYP1A2 (0.43) GPR183MAPTCYP2C19SMN1; SMN2MEN1
SCHEMBL5130769 0.86 CYP1A2 (0.43) GPR183MAPTCYP2C19SMN1; SMN2MEN1
SCHEMBL5124034 0.84 ALDH1A1 (0.46) TRPV1GPR183MAPTSMN1; SMN2MEN1
SCHEMBL16175694 0.81 RIPK2 (0.35) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL5015816 0.81 MAPT (0.40) CYP1A1CYP1B1DPP4MAPTUSP2
SCHEMBL5012243 0.80 PDGFRB (0.45) TRPV1MAPTKCNH2TSHRKMT2A
SCHEMBL5125677 0.80 CA1 (0.39) GPR183MAPTSSTR5
SCHEMBL5125675 0.80 CA1 (0.39) GPR183MAPTSSTR5
SCHEMBL5124033 0.80 MAPT (0.39) MAPTCYP2C19
SCHEMBL5129522 0.80 KMT2A (0.41) TRPV1SMN1; SMN2MEN1KMT2A

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 3 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

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 CYP1A1 2318/4885CYP1B1 2293/4885TRPV1 57/4885

“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.