SCHEMBL14827664

SCHEMBL14827664

CC(C)(C)C1(C)CCCN1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.40
CYP2D6 P10635 5/20 0.39
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MC4R P32245 1/20 0.39
GAA P10253 1/20 0.38
ELANE P08246 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.37
OPRL1 P41146 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
SCHEMBL3272543 0.80 MEN1 (0.47) MEN1KMT2ASIGMAR1CYP2D6CYP3A4
SCHEMBL2931788 0.78 MEN1 (0.46) MEN1KMT2ASIGMAR1CYP2D6CYP3A4
SCHEMBL9301631 0.77 MEN1 (0.45) MEN1KMT2ASIGMAR1CYP2D6CYP3A4
SCHEMBL5592149 0.77 OPRL1 (0.46) MEN1KMT2ASIGMAR1CYP2D6CYP3A4
SCHEMBL8936204 0.77 OPRL1 (0.46) MEN1KMT2ASIGMAR1CYP2D6CYP3A4
SCHEMBL24696382 0.75 OPRL1 (0.45) MEN1KMT2ASIGMAR1CYP2D6CYP3A4
SCHEMBL24653982 0.75 SIGMAR1 (0.41) MEN1KMT2ASIGMAR1CYP3A4HSD17B10
SCHEMBL26619967 0.75 SIGMAR1 (0.44) MEN1KMT2ASIGMAR1CYP3A4HSD17B10
SCHEMBL24316045 0.74 MEN1 (0.43) MEN1KMT2ASIGMAR1CYP2D6CYP3A4
SCHEMBL25000121 0.74 CYP2D6 (0.43) MEN1KMT2ASIGMAR1CYP2D6CYP3A4

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-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 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-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 MEN1 4812/4885KMT2A 3866/4885SIGMAR1 3032/4885

“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.