SCHEMBL5129693

SCHEMBL5129693

COc1cccc(C2=NOC3(CCN(C(=O)NCCc4ccccc4)CC3)C2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
ASAH1 Q13510 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TP53 P04637 1/20 0.44
CHRM4 P08173 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NPY5R Q15761 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
SCHEMBL5127007 0.91 LMNA (0.55) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5124305 0.89 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2A
SCHEMBL5011116 0.88 ALDH1A1 (0.46) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5117500 0.85 ALDH1A1 (0.55) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5120181 0.84 KMT2A (0.47) ALDH1A1LMNAKMT2ATP53
SCHEMBL5121286 0.84 SMN1; SMN2 (0.55) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5131413 0.84 PKM (0.50) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5121940 0.83 NPY5R (0.42) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL15855842 0.83 NPC1 (0.51) ALDH1A1LMNACYP1A2CYP3A4TSHR
SCHEMBL5124233 0.82 EPHX2 (0.50) ALDH1A1LMNACHRM4

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 511/4885LMNA 875/4885CYP1A2 2142/4885

“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.