SCHEMBL3541963

SCHEMBL3541963

Cc1ncc(-c2c(C)c(CO)nn2Cc2ccccc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.44
KCNH2 Q12809 2/20 0.40
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NR1H3 Q13133 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3543476 0.81 ALDH1A1 (0.37) OPRL1KCNH2POLBGAAALDH1A1
SCHEMBL3540280 0.75 OPRL1 (0.42) OPRL1KCNH2OPRM1OPRK1
SCHEMBL3543100 0.68 OPRL1 (0.40) OPRL1
SCHEMBL13301206 0.67 CYP19A1 (0.46) POLBGAAALDH1A1NR1H3LMNA
SCHEMBL19209438 0.66 GAA (0.52) POLBGAAALDH1A1NR1H3KDM4E
SCHEMBL3539962 0.65 OPRL1 (0.40) OPRL1GAANR1H3L3MBTL1NR1H2
SCHEMBL2163465 0.65 POLB (0.76) POLBGAAALDH1A1KDM4ELMNA
SCHEMBL17596278 0.64 CYP19A1 (0.44) POLBGAAALDH1A1NR1H3KDM4E
SCHEMBL14858167 0.64 POLB (0.50) POLBGAAALDH1A1NR1H3KDM4E
SCHEMBL23401382 0.63 GAA (0.56) POLBGAAALDH1A1NR1H3KDM4E

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-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 US disclosed
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 EP 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-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 OPRL1 1/4885KCNH2 766/4885OPRM1 10/4885

“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.