SCHEMBL13676331

SCHEMBL13676331

CC(C)(C)N1CCCCC1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.53
CHRNA7 P36544 2/20 0.53
CHRNA4 P43681 2/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
RIPK1 Q13546 3/20 0.50
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
CFB P00751 2/20 0.40
SLC18A3 Q16572 1/20 0.40
ACLY P53396 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39

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
SCHEMBL15831467 1.00 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL15831466 1.00 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL24775430 0.98 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL24775157 0.98 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL22473219 0.95 CHRNB2 (0.59) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL13388673 0.95 CHRNB2 (0.59) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL22473392 0.95 CHRNB2 (0.59) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL11947314 0.87 RIPK1 (0.53) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL22473531 0.83 TRPA1 (0.44)
SCHEMBL22473220 0.83 TRPA1 (0.44)

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-20230033360-A1 COMPOUNDS AS CD73 INHIBITORS BIOARDIS LLC 2023-02-02 US disclosed
US-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 US disclosed
US-9637493-B2 Substituted pyrrolopyrimidines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-02 US disclosed
US-9540377-B2 2,6,7,8 substituted purines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-10 US disclosed
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
US-8962611-B2 Substituted imidazopyridines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-24 US disclosed
US-20140357618-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME LLC 2014-12-04 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 (7 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-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 CHRNB2 4503/4885CHRNA7 4831/4885CHRNA4 4874/4885
US-20230033360-A1 COMPOUNDS AS CD73 INHIBITORS ENTPD5, ENTPD1, NT5E CHRNB2 1151/4885CHRNA7 1015/4885CHRNA4 992/4885
US-20090258858-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 CHRNB2 11/4885CHRNA7 14/4885CHRNA4 15/4885
US-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB CHRNB2 1972/4885CHRNA7 1555/4885CHRNA4 2525/4885
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS DDX21, DPYD, NSUN2 CHRNB2 4706/4885CHRNA7 4770/4885CHRNA4 4857/4885
US-20140357618-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS DDX21, ING2, MDM2 CHRNB2 4780/4885CHRNA7 4870/4885CHRNA4 4862/4885
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 CHRNB2 2180/4885CHRNA7 1622/4885CHRNA4 2057/4885

“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.