SCHEMBL5680586

SCHEMBL5680586

CC1Cc2c([nH]c3ccc(OCc4ccccc4)cc23)CN1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.54
ADRA1A P35348 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1B P35368 1/20 0.47
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
NSD2 O96028 1/20 0.46
AS3MT Q9HBK9 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 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
SCHEMBL10850861 0.85 MAPKAPK2 (0.53) MAPKAPK2ADRA1ATRPM8MAOAMAOB
SCHEMBL8329534 0.82 HTR1B (0.60) MAPKAPK2ADRA1AKDM4ELMNAHSD17B10
SCHEMBL17500236 0.81 KDM4E (0.66) MAPKAPK2TRPM8MAOAMAOBKDM4E
SCHEMBL31451723 0.80 HSD17B10 (0.59) MAPKAPK2KDM4ELMNAMAPTHSD17B10
SCHEMBL8757765 0.80 MAPKAPK2 (0.60) MAPKAPK2ADRA1AMAOAMAOBCTSV
SCHEMBL2978779 0.78 LMNA (0.63) MAPKAPK2ADRA1ATRPM8MAOAMAOB
SCHEMBL7657783 0.77 EGFR (0.67) MAPKAPK2ADRA1ATRPM8MAOAMAOB
SCHEMBL7143900 0.77 ADRA1A (0.49) MAPKAPK2ADRA1ATRPM8MAOAMAOB
SCHEMBL7666158 0.77 MAPKAPK2 (0.59) MAPKAPK2ADRA1AMAOAMAOBCTSV
SCHEMBL7662787 0.77 HTR1B (0.53) MAPKAPK2ADRA1AADRA1DADRA1BEGFR

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-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 US disclosed
US-7084154-B2 2-(aminomethyl) arylamide analgesics PHARMACOPEIA DRUG DISCLOVERY, INC. (US) 2006-08-01 US disclosed
US-20040167119-A1 2-(aminomethyl) arylamide analgesics PHARMACOPEIA, INC (US) 2004-08-26 US disclosed
WO-2004071445-A2 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-26 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 (2 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-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES HDAC6, HDAC5, HDAC4 MAPKAPK2 1992/4885ADRA1A 4645/4885TRPM8 3859/4885
US-20040167119-A1 2-(aminomethyl) arylamide analgesics OPRL1, OPRM1, OPRK1 MAPKAPK2 2983/4885ADRA1A 146/4885TRPM8 227/4885

“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.