SCHEMBL13388673

SCHEMBL13388673

CC(C)(C)N1CCCC1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
CHRNA7 P36544 1/20 0.59
CHRNA4 P43681 1/20 0.59
RIPK1 Q13546 4/20 0.55
NUDT1 P36639 1/20 0.40

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
SCHEMBL22473219 1.00 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22473392 1.00 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15831466 0.95 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15831467 0.95 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13676331 0.95 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL24775430 0.93 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL24775157 0.93 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11947314 0.89 RIPK1 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL23032533 0.86 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL23032157 0.84 CYP19A1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591355-B2 CD73 inhibitors and uses thereof PELOTON THERAPEUTICS INC. (US) 2023-02-28 US disclosed
US-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 US disclosed
US-20210395231-A1 RECEPTOR INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-12-23 US disclosed
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2021-10-14 US disclosed
US-20210253614-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 PELOTON THERAPEUTICS, INC. (US) 2021-08-19 US disclosed
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 US disclosed
US-20200115404-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS INC. 2020-04-16 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20100093702-A1 METHYLENE AMINES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
US-20090258858-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-15 US disclosed
US-20090258858-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-15 US disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (13 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-20210395231-A1 RECEPTOR INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USE THEREOF TACR1, TACR2, GPBAR1 CHRNB2 696/4885CHRNB4 874/4885CHRNA3 716/4885
US-20210253614-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 ENTPD5, NT5E, ENTPD1 CHRNB2 335/4885CHRNB4 351/4885CHRNA3 308/4885
US-20200115404-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E CHRNB2 560/4885CHRNB4 594/4885CHRNA3 545/4885
US-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 CHRNB2 4503/4885CHRNB4 4860/4885CHRNA3 4851/4885
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CHRNB2 3964/4885CHRNB4 3801/4885CHRNA3 4017/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CHRNB2 3964/4885CHRNB4 3801/4885CHRNA3 4017/4885
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 CHRNB2 688/4885CHRNB4 872/4885CHRNA3 744/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 CHRNB2 4115/4885CHRNB4 3806/4885CHRNA3 4255/4885
US-20090258858-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 CHRNB2 11/4885CHRNB4 17/4885CHRNA3 7/4885
US-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 CHRNB2 449/4885CHRNB4 579/4885CHRNA3 242/4885
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 CHRNB2 2180/4885CHRNB4 2463/4885CHRNA3 914/4885
US-20100093702-A1 METHYLENE AMINES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B CHRNB2 253/4885CHRNB4 352/4885CHRNA3 126/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E CHRNB2 560/4885CHRNB4 594/4885CHRNA3 545/4885

“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.