SCHEMBL10280591

SCHEMBL10280591

NC1CCCc2c(CO)ccc(CO)c21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRNE Q04844 1/20 0.32
ADRA1A P35348 1/20 0.30

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
SCHEMBL5021148 0.83 ADRA1A (0.50) ADRA1A
SCHEMBL7246237 0.78 NCF1 (0.36) CYP11B1CYP11B2
SCHEMBL11312898 0.71 CHRNE (0.41) S1PR1CHRNE
SCHEMBL16286838 0.69 S1PR1 (0.33) S1PR1
SCHEMBL4823275 0.66 ADRA1A (0.33) CYP11B1CYP11B2ADRA1A
SCHEMBL5021141 0.64 ACHE (0.40) ADRA1A
SCHEMBL24133301 0.63 BCL2L1 (0.38) CHRNE
SCHEMBL14425202 0.63 RXRG (0.38) S1PR1CHRNE
SCHEMBL10273805 0.62 S1PR1 (0.48) S1PR1CHRNE
SCHEMBL21955093 0.62 HTR2C (0.32) CHRNE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B S1PR1 1517/4885CYP11B1 899/4885CYP11B2 577/4885

“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.