SCHEMBL5127007

SCHEMBL5127007

COc1cccc(C2=NOC3(CCN(C(=O)NCc4ccccc4)CC3)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.48
PKM P14618 3/20 0.46
RYR2 Q92736 1/20 0.46
KMT2A Q03164 1/20 0.45
GLA P06280 1/20 0.45
NAMPT P43490 1/20 0.45

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
SCHEMBL5117500 0.94 ALDH1A1 (0.55) LMNATSHRCYP1A2CYP3A4CYP2D6
SCHEMBL5131413 0.93 PKM (0.50) LMNATSHRCYP1A2CYP3A4CYP2D6
SCHEMBL5129693 0.91 ALDH1A1 (0.61) LMNATSHRCYP1A2CYP3A4CYP2D6
SCHEMBL5128772 0.91 PKM (0.50) LMNATSHRCYP1A2CYP2D6ALDH1A1
SCHEMBL5011540 0.90 ALDH1A1 (0.47) LMNATSHRCYP1A2CYP3A4CYP2D6
SCHEMBL5121940 0.88 NPY5R (0.42) LMNATSHRCYP1A2CYP3A4CYP2D6
SCHEMBL5124319 0.88 KMT2A (0.50) KMT2A
SCHEMBL5012257 0.87 TSHR (0.53) LMNATSHRCYP1A2CYP3A4CYP2D6
Beclamide SCHEMBL16175686 0.86 TSHR (0.49) LMNATSHRCYP1A2CYP3A4CYP2D6
SCHEMBL5121286 0.86 SMN1; SMN2 (0.55) LMNATSHRCYP1A2CYP3A4CYP2D6

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 LMNA 875/4885TSHR 3033/4885CYP1A2 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.