SCHEMBL2534784

SCHEMBL2534784

c1cc2c3c(c1CC2)CCNC3

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
PRCP P42785 1/20 0.46
CD44 P16070 2/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL11737280 0.76 PNMT (0.57) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL6202610 0.73 HTR2C (0.57) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL29407560 0.73 PNMT (0.54) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL11746068 0.73 HTR2A (0.77) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL11734649 0.73 PNMT (0.54) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL22993473 0.73 PNMT (0.54) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL30098019 0.73 PNMT (0.54) PNMTADRA2AADRA2BADRA2CHTR2A
Hydrochloric Acid SCHEMBL23727152 0.72 PNMT (0.53) PNMTADRA2AADRA2BADRA2CHTR2A
Hydrochloric Acid SCHEMBL23725622 0.72 HTR2A (0.74) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL23036826 0.72 PNMT (0.57) PNMTADRA2AADRA2BADRA2CCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232360-B2 Stereoregular ROMP polymers RESEARCH FOUNDATION OF STATE UNIVERSITY OF N.Y. (US) 2012-07-31 US disclosed
US-20110251363-A1 STEREOREGULAR ROMP POLYMERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-10-13 US disclosed
WO-2008019217-A2 STEREOREGULAR ROMP POLYMERS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-02-14 WO disclosed
WO-2005059098-A2 METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING NEURODEGENERATIVE CONDITIONS CREIGHTON UNIVERSITY (US) 2005-06-30 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-20110251363-A1 STEREOREGULAR ROMP POLYMERS PCBP1, PARG, OSGEP PNMT 2403/4885ADRA2A 3683/4885ADRA2B 3393/4885

“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.