SCHEMBL15601075

SCHEMBL15601075

CNC(=O)/C=C/CN1CCN(CCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL16803636 0.86 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL14079970 0.86 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL19669738 0.84 SMN1; SMN2 (0.38) TP53ALDH1A1KDM4EL3MBTL1HSD11B1
SCHEMBL16665089 0.82 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL16665101 0.82 HSD11B1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL17120421 0.82 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL15601151 0.82 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL2844292 0.80 ALDH1A1 (0.39) TP53ALDH1A1KDM4EHSD11B1HTT
SCHEMBL2844289 0.80 ALDH1A1 (0.39) TP53ALDH1A1KDM4EHSD11B1HTT
SCHEMBL15600776 0.80 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-25 US disclosed
US-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES ARIAD PHARMACEUTICALS, INC. 2015-06-18 US disclosed
WO-2013169401-A1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMACEUTICALS, INC. (US) 2013-11-14 WO 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 (2 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-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES BRAF, RAF1, EGFR TP53 89/4885CHRNB2 4702/4885CHRNB4 4752/4885
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 TP53 16/4885CHRNB2 4831/4885CHRNB4 4846/4885

“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.