SCHEMBL16144128

SCHEMBL16144128

CCOC(=O)/C=C/CN1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
ALDH1A1 P00352 3/20 0.39
TTR P02766 1/20 0.38
DPP4 P27487 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
CYP3A4 P08684 1/20 0.36
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 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
SCHEMBL25811871 0.85 MAPT (0.46) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL30154189 0.85 MAPT (0.46) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL6621854 0.83 MAPT (0.45) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL6621859 0.83 MAPT (0.45) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL23178554 0.82 MAPT (0.44) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL19533587 0.81 TSHR (0.49) MAPTHCAR2ALDH1A1CYP3A4KMT2A
SCHEMBL18639153 0.81 SIGMAR1 (0.32) MAPTALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL16113676 0.79 HCAR2 (0.44) MAPTHCAR2ALDH1A1KMT2AKDM4E
SCHEMBL16114006 0.79 HCAR2 (0.44) MAPTHCAR2ALDH1A1KMT2AKDM4E
SCHEMBL18358132 0.78 CHRM5 (0.38) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723753-B2 Ras inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-28 US disclosed
US-20160046661-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-18 US disclosed
WO-2014160200-A9 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-11-27 WO disclosed
WO-2014160200-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-10-02 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-20160046661-A1 RAS INHIBITORS AND USES THEREOF KRAS, NRAS, RASGRP1 MAPT 4435/4885HCAR2 2082/4885ALDH1A1 2176/4885
US-10723753-B2 Ras inhibitors and uses thereof KRAS, NRAS, RASGRP1 MAPT 4435/4885HCAR2 2082/4885ALDH1A1 2176/4885

“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.