SCHEMBL4515302

SCHEMBL4515302

O=C1C(Cc2c(Cl)cccc2Cl)CCN1C1CCCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
CHRNA7 P36544 1/20 0.42
DRD1 P21728 1/20 0.41
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40
HSD11B1 P28845 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
TAS1R2 Q8TE23 3/20 0.40
CTSD P07339 1/20 0.40
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL4523992 0.93 HSD11B1 (0.42) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL4508542 0.93 HSD11B1 (0.42) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL4513256 0.93 HSD11B1 (0.42) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL4525134 0.86 DRD1 (0.41) ALDH1A1KDM4EMAPTDRD1HSD11B1
SCHEMBL14365068 0.84 TAS1R3 (0.43) OPRM1OPRK1OPRL1HSD11B1TAS1R3
SCHEMBL4509054 0.84 TAS1R3 (0.43) OPRM1OPRK1OPRL1HSD11B1TAS1R3
SCHEMBL4504607 0.83 KDM4E (0.39) ALDH1A1KDM4EMAPTDRD1HTR2C
SCHEMBL5541253 0.83 KDM4E (0.39) ALDH1A1KDM4EMAPTDRD1HTR2C
SCHEMBL4513878 0.81 SIGMAR1 (0.51)
SCHEMBL4525028 0.81 DCPS (0.35) ALDH1A1KDM4EMAPTDRD1HSD11B1

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
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 OPRM1 3446/4885OPRK1 3019/4885OPRL1 2953/4885

“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.