SCHEMBL5124256

SCHEMBL5124256

COc1ccc(CNC(=O)N2CCC3(CC2)CC(c2ccc(Cl)cc2)=NO3)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.44
PKM P14618 2/20 0.43
P2RY12 Q9H244 1/20 0.43
NAMPT P43490 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL5123774 0.92 PKM (0.53) KMT2AALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL5128772 0.91 PKM (0.50) KMT2AALDH1A1NPC1LMNACYP1A2
SCHEMBL5123358 0.90 KMT2A (0.49) KMT2AALDH1A1NPC1LMNAPKM
SCHEMBL5121783 0.89 KMT2A (0.47) KMT2ACYP3A4ALDH1A1SMN1; SMN2NPC1
SCHEMBL5117898 0.88 TP53 (0.47) KMT2AALDH1A1LMNACYP1A2CYP2D6
SCHEMBL5130541 0.88 KMT2A (0.47) KMT2AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL16175732 0.87 KMT2A (0.49) KMT2ACYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL5117500 0.87 ALDH1A1 (0.55) KMT2ACYP3A4ALDH1A1SMN1; SMN2NPC1
SCHEMBL5124965 0.86 MAPT (0.55) KMT2ACYP3A4ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL5127037 0.84 KMT2A (0.53) KMT2AALDH1A1PKMNAMPTPDGFRB

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 4006/4885CYP3A4 2391/4885ALDH1A1 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.