SCHEMBL10061680

SCHEMBL10061680

C=C1Nc2ccc(N3CCOCC3)cc2C(C)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.46
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
LGMN Q99538 1/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 3/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 2/20 0.37
HPGD P15428 1/20 0.36
LMNA P02545 2/20 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
SCHEMBL10061673 0.85 OPRM1 (0.41) OPRM1OPRD1MAPTALDH1A1MEN1
SCHEMBL10061681 0.79 KIF11 (0.43) KIF11OPRM1OPRD1BRD4CREBBP
SCHEMBL10061731 0.78 KIF11 (0.42) KIF11OPRM1OPRD1BRD4CREBBP
SCHEMBL10061683 0.78 OPRM1 (0.43) KIF11OPRM1OPRD1BRD4CREBBP
SCHEMBL10061699 0.71 SLC6A2 (0.41) KIF11LGMNMAPTALDH1A1MEN1
SCHEMBL10061734 0.69 IDH1 (0.40) KIF11LGMNMAPTALDH1A1MEN1
SCHEMBL1011361 0.68 OPRM1 (0.48) KIF11OPRM1OPRD1LGMNMAPT
SCHEMBL10061689 0.67 SLC6A2 (0.42) KIF11OPRM1OPRD1BRD4LGMN
SCHEMBL16062162 0.66 KIF11 (0.46) KIF11MAPTALDH1A1MEN1KMT2A
SCHEMBL23767963 0.66 LGMN (0.44) KIF11LGMNMAPTALDH1A1MEN1

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 KIF11 2601/4885OPRM1 905/4885OPRD1 602/4885

“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.