SCHEMBL18878447

SCHEMBL18878447

CC(C)=C1CN2CCC1CC2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.50
CHRNA4 P43681 4/20 0.50
CHRM2 P08172 6/20 0.34
CHRM1 P11229 6/20 0.34
CHRM3 P20309 4/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRNA3 P32297 3/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNB4 P30926 1/20 0.33
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL16684577 0.82 CHRNB2 (0.47) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL2417313 0.76 CHRNB2 (0.47) CHRNB2CHRNA4CHRM2CHRM1CHRNA3
SCHEMBL8714628 0.67 CHRNB2 (0.42) CHRNB2CHRNA4THRBHTT
SCHEMBL7082506 0.65 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL8714147 0.65 MAPT (0.38) CHRNB2CHRNA4CHRM1CHRM3THRB
SCHEMBL8713172 0.64 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL8713166 0.64 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL16684570 0.62 CHRM1 (0.47) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7811397 0.62 CHRM1 (0.42) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Oxalic Acid SCHEMBL8715717 0.61 CHRNB2 (0.90) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4

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-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 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-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CHRNB2 4163/4885CHRNA4 4503/4885CHRM2 4866/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 CHRNB2 2468/4885CHRNA4 1789/4885CHRM2 3433/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 CHRNB2 1322/4885CHRNA4 1739/4885CHRM2 2932/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 CHRNB2 3720/4885CHRNA4 4328/4885CHRM2 4711/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CHRNB2 4163/4885CHRNA4 4503/4885CHRM2 4866/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A CHRNB2 537/4885CHRNA4 746/4885CHRM2 1466/4885

“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.