SCHEMBL4518200

SCHEMBL4518200

COc1ccccc1CC1CCN(C2CCCc3ccccc32)C1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP2D6 P10635 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR7 P34969 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 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
SCHEMBL14364999 1.00 KMT2A (0.44) KMT2AMEN1KDM4ECYP2D6OPRM1
SCHEMBL4511428 0.94 CYP2D6 (0.45) KMT2AMEN1KDM4ECYP2D6ALDH1A1
SCHEMBL4519858 0.86 CYP26A1 (0.43) KMT2AMEN1KDM4EOPRM1OPRK1
SCHEMBL4509855 0.81 HSD11B1 (0.39) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL4518738 0.79 SIGMAR1 (0.43)
SCHEMBL4523052 0.79 CYP24A1 (0.47) KMT2AKDM4ECYP2D6ALDH1A1POLB
SCHEMBL2989132 0.78 HSD11B1 (0.62) KMT2AMEN1CYP2D6ALDH1A1POLB
SCHEMBL4504607 0.78 KDM4E (0.39) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL5541253 0.78 KDM4E (0.39) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL4515302 0.77 OPRM1 (0.43) KMT2AMEN1KDM4EOPRM1OPRK1

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-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

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 KMT2A 2379/4885MEN1 1254/4885KDM4E 2703/4885

“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.