SCHEMBL10061683

SCHEMBL10061683

C=C1Nc2ccc(N3CCOCC3)cc2C(C)N1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KIF11 P52732 2/20 0.42
LGMN Q99538 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
PRKDC P78527 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL10061671 0.87 OPRM1 (0.41) OPRM1OPRD1ALDH1A1MEN1KMT2A
SCHEMBL10061680 0.78 KIF11 (0.46) OPRM1OPRD1KIF11LGMNALDH1A1
SCHEMBL10061681 0.78 KIF11 (0.43) OPRM1OPRD1KIF11LGMNALDH1A1
SCHEMBL10061731 0.77 KIF11 (0.42) OPRM1OPRD1KIF11LGMNALDH1A1
SCHEMBL10061689 0.74 SLC6A2 (0.42) OPRM1OPRD1KIF11LGMNALDH1A1
SCHEMBL8028909 0.69 OPRD1 (0.53) OPRM1OPRD1LGMNALDH1A1MEN1
SCHEMBL10061682 0.68 OPRM1 (0.41) OPRM1OPRD1ALDH1A1MEN1KMT2A
SCHEMBL8019057 0.66 OPRM1 (0.50) OPRM1OPRD1LGMNALDH1A1MEN1
SCHEMBL10061673 0.66 OPRM1 (0.41) OPRM1OPRD1ALDH1A1MEN1KMT2A
SCHEMBL23767964 0.65 LGMN (0.44) KIF11LGMNALDH1A1MEN1KMT2A

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-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 OPRM1 905/4885OPRD1 602/4885KIF11 2601/4885

“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.