SCHEMBL5124244

SCHEMBL5124244

CC(C)(C)c1ccc(C2=NOC3(CCN(C(=O)O)CC3)C2)cc1.NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.40
KMT2A Q03164 2/20 0.40
SSTR5 P35346 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
KDR P35968 1/20 0.37
MEN1 O00255 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5124242 0.97 SSTR5 (0.41) DHODHKMT2ASSTR5ABL1BCR
SCHEMBL5116956 0.92 POLB (0.42) KMT2ASSTR5CYP1A2POLBCYP2C19
SCHEMBL5116953 0.92 POLB (0.42) KMT2ASSTR5CYP1A2POLBCYP2C19
SCHEMBL5120758 0.89 KMT2A (0.46) KMT2ASSTR5CYP1A2POLBCYP2C19
SCHEMBL16175483 0.89 RAB9A (0.37) KMT2AABL1BCRMEN1CHRNB4
SCHEMBL5120755 0.86 SSTR5 (0.42) KMT2ASSTR5CYP1A2POLBCYP2C19
SCHEMBL5012873 0.86 MEN1 (0.51) KMT2APOLBABL1BCRMEN1
SCHEMBL5012829 0.82 MEN1 (0.51) KMT2APOLBABL1BCRACACB
SCHEMBL5129522 0.82 KMT2A (0.41) KMT2AABL1BCRMEN1CHRNB4
SCHEMBL16175725 0.82 CHRNB4 (0.47) KMT2ACYP1A2POLBCYP2C19MEN1

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 DHODH 721/4885KMT2A 4006/4885SSTR5 384/4885

“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.