SCHEMBL4524618

SCHEMBL4524618

O=C1C(Cc2ccc(Br)cc2F)CCN1C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.55
OPRM1 P35372 7/20 0.40
CCR1 P32246 3/20 0.37
CCR2 P41597 3/20 0.37
P2RX7 Q99572 1/20 0.36
AKR1B1 P15121 2/20 0.34
PER2 O15055 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2990822 0.86 HSD11B1 (0.54) HSD11B1OPRM1P2RX7ALDH1A1
SCHEMBL209282 0.84 HSD11B1 (0.52) HSD11B1P2RX7ALDH1A1
SCHEMBL4517502 0.82 HSD11B1 (0.62) HSD11B1OPRM1ALDH1A1
SCHEMBL3543212 0.82 HSD11B1 (0.68) HSD11B1ALDH1A1
SCHEMBL210897 0.82 HSD11B1 (0.49) HSD11B1OPRM1
SCHEMBL2991334 0.81 HSD11B1 (0.47) HSD11B1OPRM1P2RX7ALDH1A1
SCHEMBL4514748 0.80 HSD11B1 (0.74) HSD11B1ALDH1A1
SCHEMBL4697246 0.79 HSD11B1 (0.61) HSD11B1OPRM1ALDH1A1
SCHEMBL3547913 0.78 HSD11B1 (0.67) HSD11B1ALDH1A1
SCHEMBL3545096 0.78 HSD11B1 (0.66) HSD11B1PER2ALDH1A1

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 HSD11B1 1/4885OPRM1 3446/4885CCR1 2002/4885

“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.