SCHEMBL9974040

SCHEMBL9974040

Cc1cc(C2(C)CC2)on1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
CHRNB2 P17787 4/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA5 P30532 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
SCHEMBL20320352 0.78 HCAR2 (0.35) HCAR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20320350 0.75 POLB (0.34) HCAR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4973106 0.74 CHRNB2 (0.33) HCAR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31595750 0.74 HCAR2 (0.36) HCAR2
SCHEMBL20320628 0.74 HCAR2 (0.32) HCAR2
SCHEMBL15321889 0.72 HCAR2 (0.47) HCAR2CHRNA4
SCHEMBL7000790 0.71 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL7000062 0.70 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL2790734 0.70 SCD (0.34)
SCHEMBL15321857 0.69 HCAR2 (0.40) HCAR2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023224998-A1 INHIBITORS OF PARG 858 THERAPEUTICS, INC. (US) 2023-11-23 WO disclosed
WO-2021253095-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2021-12-23 WO disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
US-9522920-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-12-20 US disclosed
US-8796261-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20120157428-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-06-21 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 (2 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-20120157428-A1 BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRPF3, BRDT HCAR2 2952/4885CHRNB2 1469/4885CHRNB4 1836/4885
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS HCAR2 675/4885CHRNB2 4048/4885CHRNB4 4021/4885

“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.