SCHEMBL787034

SCHEMBL787034

COc1ccc(CCNC2CCCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
POLB P06746 2/20 0.62
KMT2A Q03164 1/20 0.62
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
EPHX2 P34913 1/20 0.54
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL5561766 0.98 KDM4E (0.65) KDM4EPOLBKMT2ACYP1A2CYP2D6
SCHEMBL5560596 0.93 POLB (0.65) KDM4EPOLBKMT2AALDH1A1TAAR1
SCHEMBL14885856 0.86 POLB (0.58) KDM4EPOLBKMT2AALDH1A1
SCHEMBL3692058 0.86 KMT2A (0.58) KDM4EPOLBKMT2ACYP1A2CYP2D6
SCHEMBL3692055 0.86 KMT2A (0.58) KDM4EPOLBKMT2ACYP1A2CYP2D6
SCHEMBL9995215 0.84 KMT2A (0.60) KDM4EPOLBKMT2AALDH1A1HRH3
SCHEMBL5561161 0.83 ALDH1A1 (0.70) KDM4EPOLBKMT2AEPHX2ALDH1A1
SCHEMBL787022 0.81 ALDH1A1 (0.74) KDM4EPOLBALDH1A1TSHRTAAR1
SCHEMBL5561106 0.81 ALDH1A1 (0.68) KDM4EPOLBKMT2AEPHX2ALDH1A1
SCHEMBL7488707 0.81 HTT (0.50) KDM4EPOLBKMT2ACYP1A2CYP2D6

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 6 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-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 KDM4E 1353/4885POLB 3113/4885KMT2A 446/4885

“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.