SCHEMBL5119954

SCHEMBL5119954

COc1cccc(C2=NOC3(CCN(C(=O)Nc4ccccc4Cl)CC3)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
GAA P10253 2/20 0.58
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 4/20 0.56
MAPK1 P28482 1/20 0.56
TP53 P04637 1/20 0.50
NPY5R Q15761 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 3/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 2/20 0.44
SMO Q99835 1/20 0.44
TSHR P16473 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL5131274 0.90 NPY5R (0.50) KMT2AGAAMAPTALDH1A1LMNA
SCHEMBL5121848 0.90 HSD17B10 (0.56) KMT2AGAAMAPTALDH1A1LMNA
SCHEMBL5131342 0.89 NPY5R (0.49) KMT2AGAAMAPTALDH1A1LMNA
SCHEMBL5129054 0.89 NPY5R (0.49) KMT2AGAAMAPTALDH1A1LMNA
SCHEMBL5124347 0.88 NPY5R (0.49) KMT2AGAAMAPTALDH1A1LMNA
SCHEMBL5124310 0.88 LMNA (0.56) KMT2AGAAMAPTALDH1A1LMNA
SCHEMBL5126816 0.88 NPY5R (0.48) KMT2AGAAMAPTALDH1A1LMNA
SCHEMBL16175733 0.88 LMNA (0.45) KMT2AGAAMAPTALDH1A1LMNA
SCHEMBL5120146 0.88 HTT (0.49) KMT2AGAAMAPTALDH1A1LMNA
SCHEMBL5124880 0.88 FAAH (0.49) MAPTALDH1A1MAPK1TP53NPY5R

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 KMT2A 4006/4885GAA 1077/4885MAPT 161/4885

“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.