SCHEMBL2256335

SCHEMBL2256335

CN(C)CCCN(C)c1ccc(Br)cn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.51
SSTR2 P30874 1/20 0.41
SSTR4 P31391 1/20 0.41
HCAR3 P49019 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
EGFR P00533 2/20 0.38
HRH3 Q9Y5N1 2/20 0.37
TLR7 Q9NYK1 1/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL5237488 0.87 GBA1 (0.60) GBA1SSTR2SSTR4HCAR3TAAR1
SCHEMBL31217157 0.86 GBA1 (0.56) GBA1HCAR3EGFR
SCHEMBL10653784 0.85 GBA1 (0.57) GBA1SSTR2SSTR4HCAR3EGFR
SCHEMBL1432671 0.82 GBA1 (0.59) GBA1HCAR3EGFRPKM
SCHEMBL21841697 0.82 GBA1 (0.47) GBA1SSTR2SSTR4HCAR3EGFR
SCHEMBL5255404 0.81 GBA1 (0.53) GBA1SSTR2SSTR4HCAR3EGFR
SCHEMBL7245666 0.79 HRH3 (0.44) HCAR3HRH3TLR7PKM
SCHEMBL1433090 0.78 GBA1 (0.69) GBA1HCAR3
SCHEMBL5253357 0.78 GBA1 (0.50) GBA1HCAR3EGFR
SCHEMBL15247307 0.77 TRPV1 (0.42) HCAR3HRH3TLR7PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373657-B1 5,7-DIHYDRO-6H-PYRIMIDO[5,4-D][1]BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARM INC (US) 2016-09-14 EP disclosed
US-20150175542-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 US disclosed
US-20140194410-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8507667-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20120309743-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-12-06 US disclosed
US-20120302551-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-11-29 US disclosed
US-8268992-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20110257157-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-7998952-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-16 US disclosed
US-20100179126-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-15 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 (6 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-20120302551-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 GBA1 4406/4885SSTR2 3359/4885SSTR4 2727/4885
US-20100179126-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 GBA1 4406/4885SSTR2 3359/4885SSTR4 2727/4885
US-20110257157-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 GBA1 4406/4885SSTR2 3359/4885SSTR4 2727/4885
US-20150175542-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 GBA1 4406/4885SSTR2 3359/4885SSTR4 2727/4885
US-20140194410-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 GBA1 4406/4885SSTR2 3359/4885SSTR4 2727/4885
US-20120309743-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 GBA1 4406/4885SSTR2 3359/4885SSTR4 2727/4885

“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.