SCHEMBL9965935

SCHEMBL9965935

Cc1cn(C2CCNCC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CPB1 P15086 1/20 0.39
KDM2B Q8NHM5 2/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2C P28335 2/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
NSD3 Q9BZ95 1/20 0.33
WDR5 P61964 1/20 0.32
TLR4 O00206 1/20 0.32
TLR9 Q9NR96 1/20 0.32

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
SCHEMBL19732429 0.89 KDM2B (0.49) CHRNB2CHRNA4CPB1KDM2BGABRA1
SCHEMBL18377886 0.88
SCHEMBL20325978 0.84 CDK5 (0.39) CPB1KDM2BWDR5
SCHEMBL14704037 0.84 CDK5 (0.38) CPB1KDM2BMEN1ALDH1A1KMT2A
SCHEMBL18250753 0.82 CDK5 (0.39) CPB1ALDH1A1WDR5
SCHEMBL14647026 0.81 CPB2 (0.42) KDM2BJAK2JAK1
SCHEMBL19732426 0.80 HTR2A (0.35) CHRNB2CHRNA4KDM2BHTR2C
SCHEMBL31329177 0.79 CPB1 (0.38) CHRNB2CHRNA4CPB1KDM2BMEN1
SCHEMBL12442576 0.79 HCAR1 (0.38) KDM2BJAK2JAK1
SCHEMBL27389517 0.79 KDM2B (0.49) KDM2BALOX15JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
WO-2017007694-A1 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS GILEAD SCIENCES, INC. (US) 2017-01-12 WO disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 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 (4 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CHRNB2 838/4885CHRNA4 1143/4885CPB1 1670/4885
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CHRNB2 279/4885CHRNA4 246/4885CPB1 2843/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CHRNB2 43/4885CHRNA4 48/4885CPB1 2372/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CHRNB2 838/4885CHRNA4 1143/4885CPB1 1670/4885

“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.