SCHEMBL5124033

SCHEMBL5124033

COc1cccc(C(=CC(=O)N2CCC3(CC2)CC(c2cccc(Cl)c2)=NO3)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 3/20 0.38
MGLL Q99685 2/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
RECQL P46063 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 3/20 0.36

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
SCHEMBL5129636 0.91 CA1 (0.43) MAPTTDP1CA1CA2NPC1
SCHEMBL5015829 0.89 CYP1A2 (0.43) MAPTTDP1TP53CYP1A2CYP3A4
SCHEMBL5130769 0.89 CYP1A2 (0.43) MAPTTDP1TP53CYP1A2CYP3A4
SCHEMBL5012984 0.86 ALDH1A1 (0.38) MAPTTDP1TP53CYP1A2CYP3A4
SCHEMBL5012987 0.86 ALDH1A1 (0.38) MAPTTDP1TP53CYP1A2CYP3A4
SCHEMBL5011125 0.84 KMT2A (0.42)
SCHEMBL5011120 0.84 KMT2A (0.42)
SCHEMBL5130987 0.83 CYP1A2 (0.40) MAPTTDP1CYP1A2CYP3A4CYP2C9
SCHEMBL5129522 0.83 KMT2A (0.41)
SCHEMBL5015766 0.82 HTT (0.48) MAPTTDP1CYP1A2CYP3A4CYP2C9

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 MAPT 161/4885TDP1 1547/4885CA1 2904/4885

“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.