SCHEMBL13675162

SCHEMBL13675162

CCCN(CCC)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
LMNA P02545 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CNR2 P34972 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
APP P05067 1/20 0.39
AR P10275 1/20 0.38
PSMD14 O00487 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7150414 0.87 EGFR (0.47) ALDH1A1MAPK1KDM4EGAAMAPT
SCHEMBL18963419 0.86 KDM4E (0.44) ALDH1A1MAPK1KDM4EGAAMAPT
SCHEMBL7249167 0.85 EGFR (0.43) ALDH1A1MAPK1KDM4EGAAMAPT
SCHEMBL13675156 0.84 ALDH1A1 (0.40) ALDH1A1MAPK1KDM4EGAAMAPT
SCHEMBL16219153 0.84 SLC6A2 (0.38) ALDH1A1MAPK1KDM4EGAAMAPT
SCHEMBL24503080 0.82 POLB (0.41) ALDH1A1MAPK1KDM4EGAAMAPT
SCHEMBL4224314 0.82 EGFR (0.44) ALDH1A1MAPK1KDM4EMAPTTHRB
SCHEMBL10300283 0.80 HRH3 (0.48) ALDH1A1MAPK1KDM4EMAPTTHRB
SCHEMBL6984098 0.80 ALDH1A1 (0.66) ALDH1A1MAPK1KDM4EGAAMAPT
SCHEMBL7155728 0.80 HRH3 (0.48) ALDH1A1MAPK1KDM4EMAPTTHRB

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
WO-2015134545-A2 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS AND RADIOLIGANDS AS PROBES IN NOCICEPTIVE PROCESSING AND THE PATHPHYSIOLOGICAL STUDY OF MEMORY DEFICITS AND CONITIVE DISORDERS THE UNIVERSITY OF MISSISSIPPI (US) 2015-09-11 WO disclosed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 US disclosed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 US disclosed
US-7608619-B2 Substituted oxazole compounds with analgesic activity GRUENENTHAL GMBH (DE) 2009-10-27 US disclosed
US-20090069330-A1 Substituted Oxazole Compounds with Analgesic Activity GRUENENTHAL GMBH (DE) 2009-03-12 US 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-20090069330-A1 Substituted Oxazole Compounds with Analgesic Activity OPRK1, OPRD1, OPRM1 ALDH1A1 6/4885MAPK1 958/4885KDM4E 2740/4885
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT UGP2, TPMT, UPP1 ALDH1A1 1884/4885MAPK1 2901/4885KDM4E 2764/4885

“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.