SCHEMBL4095251

SCHEMBL4095251

COc1cc(Cl)c(N2CCCn3c2nc2c(Cl)ccc(C(=O)O)c23)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.52
RORC P51449 1/20 0.40
MAOB P27338 2/20 0.36
ADORA1 P30542 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL3754333 0.91 CRHR1 (0.52) CRHR1RORCMAOBADORA1ADORA3
SCHEMBL3753551 0.83 CRHR1 (0.47) CRHR1MAOBADORA1ADORA3
SCHEMBL3754133 0.83 CRHR1 (0.50) CRHR1MAOBADORA1ADORA3
SCHEMBL3758025 0.82 CRHR1 (0.58) CRHR1MAOB
SCHEMBL4091510 0.79 CRHR1 (0.55) CRHR1MAOBADORA1ADORA3
SCHEMBL3751351 0.79 CRHR1 (0.62) CRHR1MAOBADORA3
SCHEMBL3758926 0.79 CRHR1 (0.58) CRHR1MAOB
SCHEMBL3751171 0.77 CRHR1 (0.55) CRHR1
SCHEMBL3734143 0.77 CRHR1 (0.49) CRHR1
SCHEMBL3758841 0.77 CRHR1 (0.45) CRHR1MAOBADORA1ADORA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 CRHR1 1/4885RORC 599/4885MAOB 331/4885

“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.