SCHEMBL787032

SCHEMBL787032

O=C1c2cc(O)ccc2CCN1C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.49
PBRM1 Q86U86 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
GRM5 P41594 4/20 0.41
MAOA P21397 3/20 0.41
MAOB P27338 2/20 0.41
PRKCI P41743 1/20 0.41
KDM1A O60341 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39

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
SCHEMBL29798717 0.88 HRH3 (0.54) CRBNHRH3ESR1ESR2GRM5
SCHEMBL787033 0.88 HRH3 (0.54) CRBNHRH3ESR1ESR2GRM5
SCHEMBL26170054 0.87 MAOA (0.54) CRBNHRH3ESR1ESR2GRM5
SCHEMBL31409560 0.85 CRBN (0.58) CRBNPBRM1ESR2MAOAMAOB
SCHEMBL16850281 0.84 CRBN (0.56) CRBNPBRM1ESR2MAOAMAOB
SCHEMBL16850280 0.84 CRBN (0.56) CRBNPBRM1ESR2MAOAMAOB
SCHEMBL21040314 0.82 MAOA (0.52) CRBNHRH3ESR2MAOAMAOB
SCHEMBL3651082 0.80 HRH3 (0.67) CRBNHRH3ESR1ESR2GRM5
SCHEMBL787356 0.79 HTR2A (0.60) HRH3GRM5HTR2AHTR2CHTR2B
SCHEMBL28985479 0.78 HTR2C (0.54) HRH3GRM5MAOAMAOBHTR2A

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-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
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
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 US disclosed
WO-2011116356-A2 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 WO disclosed
WO-2011116356-A2 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 WO 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 CRBN 2305/4885PBRM1 2230/4885HRH3 1018/4885

“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.