SCHEMBL4516442

SCHEMBL4516442

CNc1ccc(CC2CCN(C3CCc4ccccc43)C2=O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HSD11B1 P28845 3/20 0.36
AVPR2 P30518 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
AHR P35869 1/20 0.35
POLB P06746 1/20 0.34
CYP2D6 P10635 4/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
CYP2C9 P11712 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
SCN1A P35498 2/20 0.33

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
SCHEMBL4510847 0.87 SMN1; SMN2 (0.52) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL4524149 0.86 KDM4E (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL4514845 0.85 KDM4E (0.46) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL4510366 0.85 KDM4E (0.46) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL4526694 0.85 KDM4E (0.44) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL4513609 0.85 KDM4E (0.42) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL4500555 0.83 CTSD (0.46) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL4521693 0.81 KDM4E (0.41) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL4516530 0.81 KDM4E (0.44) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL4521423 0.81 KDM4E (0.38) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1

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 ALDH1A1 51/4885KDM4E 2703/4885KMT2A 2379/4885

“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.