SCHEMBL787269

SCHEMBL787269

COc1ccc2c(c1)CCN(C1CCCC1)C2=O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.63
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
GRM5 P41594 2/20 0.53
MAOA P21397 2/20 0.53
MAOB P27338 1/20 0.53
AOC3 Q16853 2/20 0.48
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 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
SCHEMBL8415823 0.99 HRH3 (0.62) HRH3HTR2AHTR2CHTR2BGRM5
SCHEMBL787356 0.89 HTR2A (0.60) HRH3HTR2AHTR2CHTR2BGRM5
SCHEMBL22725996 0.88 AOC3 (0.61) HRH3HTR2AHTR2CHTR2BGRM5
SCHEMBL31409498 0.86 HTR2A (0.53) HRH3HTR2AHTR2CHTR2BMAOA
SCHEMBL3656203 0.85 HRH3 (0.54) HRH3HTR2AHTR2CHTR2BGRM5
SCHEMBL3654185 0.81 DRD2 (0.65) HRH3HTR2AHTR2CHTR2BKMT2A
SCHEMBL3650720 0.81 HRH3 (0.53) HRH3HTR2AHTR2CHTR2BMAOA
SCHEMBL3652365 0.81 STS (0.51) HRH3HTR2AHTR2CHTR2BMAOA
SCHEMBL21040263 0.81 MAOA (0.61) HRH3HTR2AHTR2CHTR2BMAOA
SCHEMBL3653206 0.81 DRD2 (0.56) HRH3HTR2AHTR2CHTR2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 US disclosed
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-12-03 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
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 (3 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 HRH3 1018/4885HTR2A 60/4885HTR2C 41/4885
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof VCAM1, VAPB, ICAM1 HRH3 1548/4885HTR2A 1656/4885HTR2C 2581/4885
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF VCAM1, VAPB, ICAM1 HRH3 1548/4885HTR2A 1656/4885HTR2C 2581/4885

“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.