SCHEMBL5539441

SCHEMBL5539441

CC1CN(C)c2ccc(O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
DRD1 P21728 3/20 0.40
HTR2A P28223 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
KDM4E B2RXH2 2/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 2/20 0.36
CYP2D6 P10635 2/20 0.36
MTOR P42345 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5540524 0.79 SRD5A1 (0.43) KDM4EMAPTKMT2ATSHRSLC6A2
SCHEMBL13437405 0.78 HTR2B (0.40) HTR2AOPRM1OPRD1OPRK1ALOX15
SCHEMBL12363786 0.78 POLB (0.41) HTR2AKDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL820623 0.75 SLC6A2 (0.41) KDM4ECYP1A2MEN1MAPTKMT2A
SCHEMBL8533683 0.75 SLC6A2 (0.44) HTR2AOPRM1MAPTSLC6A2SLC6A4
SCHEMBL13978174 0.74 OPRM1 (0.36) ESR1ESR2OPRM1OPRD1OPRK1
SCHEMBL22298134 0.74 ALDH1A1 (0.37) TP53MEN1MAPTKMT2A
SCHEMBL2625781 0.72 NOTUM (0.55) HTR2AOPRM1KDM4ETP53CYP2D6
SCHEMBL22240446 0.72 NOTUM (0.55) HTR2AOPRM1KDM4ETP53CYP2D6
SCHEMBL18681421 0.72 NOTUM (0.55) HTR2AOPRM1KDM4ETP53CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP disclosed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO disclosed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 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 (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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B ESR1 49/4885ESR2 69/4885DRD1 370/4885

“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.