SCHEMBL5091095

SCHEMBL5091095

O=C(N1CCC(C2c3ccccc3Oc3cc(Br)ccc32)CC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.38
▸ CHRM2 P08172 3/20 0.38
▸ CHRM1 P11229 3/20 0.38
▸ CHRM3 P20309 3/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ RBP4 P02753 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
SCHEMBL5090892 0.84 MAPT (0.37) TSHRRBP4
SCHEMBL5090995 0.84 HSD17B1 (0.46) PGRCHRM2CHRM1CHRM3KDM1A
SCHEMBL4511597 0.83 PGR (0.35) PGR
SCHEMBL5090958 0.83 PGR (0.38) PGRCHRM2CHRM1CHRM3KDM1A
SCHEMBL5103709 0.82 GPR142 (0.40) PGRRBP4
SCHEMBL5090969 0.81 SLC9A1 (0.38) PGRCHRM2CHRM1CHRM3KDM1A
SCHEMBL13998575 0.81 SLC9A1 (0.38) PGRCHRM2CHRM1CHRM3KDM1A
SCHEMBL5096924 0.80 PIK3CA (0.43) RBP4
SCHEMBL5103257 0.79 RBP4 (0.35) PGRCHRM2CHRM1CHRM3KDM1A
SCHEMBL5091903 0.78 MEN1 (0.37) PGRCHRM2CHRM1CHRM3RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 — — EP disclosed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO disclosed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 — — 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 (2 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-20060135522-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 PGR 798/4885CHRM2 125/4885CHRM1 93/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 PGR 798/4885CHRM2 125/4885CHRM1 93/4885

“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.

Send feedback