SCHEMBL13197441

SCHEMBL13197441

CC1CC=C(c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.36
BACE1 P56817 1/20 0.33
ESR2 Q92731 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2C P28335 1/20 0.30

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
SCHEMBL22849567 0.83 HTR2C (0.50) BACE1ESR2HTR1AHTR7HTR2C
SCHEMBL11197977 0.80 ESR2 (0.44) BACE1ESR2
SCHEMBL11199923 0.78 ESR2 (0.43) BACE1ESR2
SCHEMBL14337236 0.78 FAAH (0.34) ESR2SLC6A4HTR1AHTR7HTR2C
SCHEMBL14336823 0.78 KDM1A (0.31) ESR2HTR2C
SCHEMBL18517325 0.77 BACE1 (0.32) BACE1ESR2
SCHEMBL15180956 0.76 CCR2 (0.34) CCR2BACE1ESR2
SCHEMBL15180966 0.75 BACE1 (0.31) BACE1
SCHEMBL10930465 0.75 SIGMAR1 (0.39) CCR2BACE1ESR2HTR2C
SCHEMBL10014156 0.74 BACE1 (0.30) BACE1

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-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 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 (1 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-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP CCR2 2307/4885BACE1 756/4885ESR2 943/4885

“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.