SCHEMBL4516335

SCHEMBL4516335

COc1ccc(CN2CCN(C3CCCCC3)C2=O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.51
OPRM1 P35372 2/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
P2RX7 Q99572 5/20 0.45
LMNA P02545 2/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 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
SCHEMBL4503472 0.80 P2RX7 (0.45) P2RX7LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL4517793 0.78 HSD11B1 (0.52) OPRM1OPRD1OPRK1LMNAALDH1A1
SCHEMBL21151290 0.74 BTK (0.50) BTKALDH1A1TSHRTP53POLB
SCHEMBL4512404 0.74 P2RX7 (0.45) P2RX7LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL4518087 0.74 HSD11B1 (0.52) LMNAALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL4500707 0.73 LMNA (0.49) P2RX7LMNAALDH1A1TSHRALOX15
SCHEMBL4507396 0.72 P2RX7 (0.44) P2RX7ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL208406 0.71 HSD11B1 (0.51) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL4519244 0.70 HSD11B1 (0.47) OPRM1OPRD1OPRK1P2RX7LMNA
SCHEMBL6412814 0.69 HTR1A (0.52) OPRM1OPRK1POLBHTR1ASLC6A4

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 BTK 3901/4885OPRM1 3446/4885OPRD1 2377/4885

“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.