SCHEMBL4520615

SCHEMBL4520615

O=C(Nc1ccccc1Cl)C1CCN(C2CCCCC2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL4517653 0.80 P2RX7 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL4505216 0.78 ALDH1A1 (0.48) POLBNPC1RAB9AALDH1A1
SCHEMBL4511149 0.72 KMT2A (0.46) CYP2C19POLBALDH1A1SMN1; SMN2
SCHEMBL28592805 0.70 CYP2C19 (0.64) CYP2C19POLBNPC1RAB9AHPGD
SCHEMBL14230530 0.69 POLB (0.49) CYP2C19POLBALDH1A1SMN1; SMN2
SCHEMBL893008 0.69 POLB (0.49) CYP2C19POLBALDH1A1SMN1; SMN2
SCHEMBL30158694 0.69 RAB9A (0.63) NPC1RAB9AKDM4ETAS1R3TAS1R1
SCHEMBL4515274 0.67 NPC1 (0.42) CYP2C19POLBNPC1RAB9AALDH1A1
SCHEMBL10838847 0.67 CYP2C19 (0.63) CYP2C19POLBNPC1RAB9AHPGD
SCHEMBL3554597 0.67 HSD11B1 (0.67) POLBKDM4EALDH1A1

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 CYP2C19 304/4885POLB 2628/4885NPC1 286/4885

“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.