SCHEMBL17179352

SCHEMBL17179352

Cc1ccc2[nH]cc(C3Nc4ccccc4C34CCCCC4)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
HTR1D P28221 4/20 0.38
HTR1B P28222 3/20 0.38
KIF11 P52732 2/20 0.38
HTR2A P28223 1/20 0.35
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
PCSK9 Q8NBP7 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
AR P10275 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
SCHEMBL17179252 0.86 AR (0.46) IDO1HTR2AMGAMGAASI
SCHEMBL17178924 0.82 IDO1 (0.47) IDO1HTR1DHTR1BKIF11HTR2A
SCHEMBL17179336 0.80 MGAM (0.34) HTR2AMGAMGAASIMGAM2
SCHEMBL17179279 0.78 BRPF1 (0.36) HTR2APCSK9MAPTHTTAR
SCHEMBL17179331 0.77 MGAM (0.32) MGAMGAASIMGAM2AR
SCHEMBL17179439 0.75 GRIN1 (0.40) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL17179333 0.74 BCHE (0.33) MEN1KMT2A
SCHEMBL18421860 0.74 OPRL1 (0.42)
SCHEMBL17179329 0.73 IMPDH2 (0.46) HTR1DMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL21420153 0.72 IDO1 (0.47) IDO1KIF11HTR2AMGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2021-01-28 US disclosed
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2021-01-28 US disclosed
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-04-28 US disclosed
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-04-28 US disclosed
US-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-10-03 US disclosed
US-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-10-03 US disclosed
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-07-16 US disclosed
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-07-16 US disclosed
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 US disclosed
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 US disclosed
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 US disclosed
WO-2015154169-A1 BINDING FUNCTION3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-10-15 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 (5 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-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 IDO1 4686/4885HTR1D 4623/4885HTR1B 3859/4885
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 IDO1 4686/4885HTR1D 4623/4885HTR1B 3859/4885
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 IDO1 4686/4885HTR1D 4623/4885HTR1B 3859/4885
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 IDO1 4686/4885HTR1D 4623/4885HTR1B 3859/4885
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 IDO1 4686/4885HTR1D 4623/4885HTR1B 3859/4885

“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.