SCHEMBL14046306

SCHEMBL14046306

COC1CN(C)CCC1(O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
OPRM1 P35372 3/20 0.46
OPRL1 P41146 2/20 0.46
CNR2 P34972 2/20 0.44
LMNA P02545 3/20 0.43
SLC6A3 Q01959 2/20 0.43
DRD4 P21917 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL14046277 1.00 KMT2A (0.57) KMT2AALDH1A1MAPTOPRM1OPRL1
SCHEMBL14046170 1.00 KMT2A (0.57) KMT2AALDH1A1MAPTOPRM1OPRL1
SCHEMBL14046294 0.85 KMT2A (0.54) KMT2AALDH1A1MAPTOPRM1OPRL1
SCHEMBL14046309 0.85 SLC6A3 (0.59) KMT2AALDH1A1MAPTOPRM1LMNA
SCHEMBL14046321 0.85 KMT2A (0.54) KMT2AALDH1A1MAPTOPRM1OPRL1
SCHEMBL14046325 0.85 KMT2A (0.54) KMT2AALDH1A1MAPTOPRM1OPRL1
SCHEMBL14046295 0.85 SLC6A3 (0.59) KMT2AALDH1A1MAPTOPRM1LMNA
SCHEMBL4612537 0.81 OPRD1 (0.48) KMT2AALDH1A1MAPTOPRM1OPRL1
SCHEMBL14046322 0.80 OPRM1 (0.64) KMT2AALDH1A1MAPTOPRM1OPRL1
SCHEMBL14046169 0.80 OPRM1 (0.64) KMT2AALDH1A1MAPTOPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 US disclosed
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MCMURRAY GORDON 2008-09-25 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-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds GPR4, GPR119, PRLHR KMT2A 3354/4885ALDH1A1 590/4885MAPT 2380/4885
US-20080234280-A1 Use of Mc4 Receptor Agonist Compounds MC4R, MC5R, GPR4 KMT2A 3266/4885ALDH1A1 2792/4885MAPT 3206/4885

“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.