SCHEMBL787356

SCHEMBL787356

COc1ccc2c(c1)C(=O)N(C1CCCC1)CC2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.60
HTR2C P28335 2/20 0.60
HTR2B P41595 2/20 0.60
HRH3 Q9Y5N1 2/20 0.51
GRM5 P41594 2/20 0.51
ACHE P22303 1/20 0.47
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
CNR1 P21554 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MPI P34949 1/20 0.43

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
SCHEMBL787269 0.89 HRH3 (0.63) HTR2AHTR2CHTR2BHRH3GRM5
SCHEMBL8415823 0.88 HRH3 (0.62) HTR2AHTR2CHTR2BHRH3GRM5
SCHEMBL31533425 0.80 HTR2A (0.55) HTR2AHTR2CHTR2BACHEKDM4E
SCHEMBL787032 0.79 CRBN (0.49) HTR2AHTR2CHTR2BHRH3GRM5
SCHEMBL22725996 0.78 AOC3 (0.61) HTR2AHTR2CHTR2BHRH3GRM5
SCHEMBL31409498 0.78 HTR2A (0.53) HTR2AHTR2CHTR2BHRH3CYP2C9
SCHEMBL1036238 0.77 MEN1 (0.62) DRD2DRD4
SCHEMBL31438780 0.77 MEN1 (0.62) DRD2DRD4
SCHEMBL3551477 0.75 HTR2C (1.00) HTR2AHTR2CHTR2B
SCHEMBL3551473 0.75 HTR2C (1.00) HTR2AHTR2CHTR2B

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-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 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-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS GRM2, GRM1, GRIN2C HTR2A 60/4885HTR2C 41/4885HTR2B 85/4885

“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.