SCHEMBL21451248

SCHEMBL21451248

CSC(C)(C)c1ccc2c(n1)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.39
ADRA2B P18089 5/20 0.39
ADRA2C P18825 5/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KDM4E B2RXH2 2/20 0.33
SORT1 Q99523 2/20 0.32
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL6857053 0.82 ADRA2A (0.43) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL21107629 0.80 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL21107870 0.80 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL20877628 0.80 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL12744626 0.80 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL24378402 0.80 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL537820 0.79 ADRA2A (0.45) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL18806199 0.78 ADRA2A (0.40) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL12942916 0.75 ADRA2A (0.38) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL4163542 0.72 ADRA2A (0.44) ADRA2AADRA2BADRA2CHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870630-B2 Substituted bicyclic heteroaryl allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. 2020-12-22 US disclosed
US-20190308945-A1 SUBSTITUTED BICYCLIC HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2019-10-10 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-10870630-B2 Substituted bicyclic heteroaryl allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA2 ADRA2A 44/4885ADRA2B 38/4885ADRA2C 27/4885
US-20190308945-A1 SUBSTITUTED BICYCLIC HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA2 ADRA2A 44/4885ADRA2B 38/4885ADRA2C 27/4885

“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.