SCHEMBL5129622

SCHEMBL5129622

COc1cccc(C2=NOC3(CCN(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.55
MAPT P10636 3/20 0.53
LMNA P02545 3/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 2/20 0.53
MAPK10 P53779 1/20 0.52
CDK1 P06493 1/20 0.48
IGF1R P08069 1/20 0.48
FGFR1 P11362 1/20 0.48
BRAF P15056 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR4 P22455 1/20 0.48
FGFR3 P22607 1/20 0.48
JAK1 P23458 1/20 0.48
CDK2 P24941 1/20 0.48
AXL P30530 1/20 0.48
CDK5 Q00535 1/20 0.48
PTK2B Q14289 1/20 0.48
EPHX2 P34913 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL5125060 0.89 EPHX2 (0.51) GRIN2BMAPTMAPK10CDK1IGF1R
SCHEMBL16175659 0.89 MAPT (0.51) GRIN2BMAPTLMNAGAARAB9A
SCHEMBL5123510 0.88 PDGFRB (0.53) LMNAGAASMN1; SMN2HTTTRPM8
SCHEMBL5124334 0.87 LMNA (0.55) GRIN2BMAPTLMNAGAARAB9A
SCHEMBL5121447 0.86 MAPT (0.56) MAPTLMNAGAARAB9ASMN1; SMN2
SCHEMBL5124433 0.86 SMN1; SMN2 (0.61) MAPTLMNARAB9ASMN1; SMN2HTT
SCHEMBL5130726 0.86 MAPT (0.49) GRIN2BMAPTCDK1IGF1RFGFR1
SCHEMBL5129910 0.86 SMN1; SMN2 (0.56) GRIN2BMAPTLMNAGAARAB9A
SCHEMBL5118049 0.86 EPHX2 (0.49) GRIN2BMAPTLMNACDK1IGF1R
SCHEMBL5124902 0.85 CYP3A4 (0.53) MAPTLMNAGAASMN1; SMN2HTT

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
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 GRIN2B 253/4885MAPT 161/4885LMNA 875/4885

“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.