SCHEMBL5090995

SCHEMBL5090995

N#Cc1ccc2c(c1)Oc1ccccc1C2C1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.46
▸ HSD17B2 P37059 1/20 0.46
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ RBP4 P02753 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ SLC9A1 P19634 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SCD O00767 1/20 0.37
▸ SCD5 Q86SK9 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ PGR P06401 2/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ RHOA P61586 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ CHRM2 P08172 2/20 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
SCHEMBL14012602 0.87 HSD17B1 (0.43) HSD17B1HSD17B2CYP3A4CYP2C9CYP2C19
SCHEMBL4514314 0.84 HSD17B1 (0.47) HSD17B1HSD17B2RBP4MGLLPGR
SCHEMBL5091095 0.84 PGR (0.38) CYP2C19RBP4PGRCHRM2CHRM1
SCHEMBL5103709 0.80 GPR142 (0.40) RBP4SCD5PGRRIPK1
SCHEMBL5090958 0.79 PGR (0.38) CYP2C19RBP4PGRCHRM2CHRM1
SCHEMBL5090969 0.79 SLC9A1 (0.38) CYP3A4CYP2C9CYP2C19RBP4CYP2D6
SCHEMBL13998575 0.79 SLC9A1 (0.38) CYP3A4CYP2C9CYP2C19RBP4CYP2D6
SCHEMBL5103257 0.77 RBP4 (0.35) RBP4SCD5PGRRIPK1CHRM2
SCHEMBL5091903 0.75 MEN1 (0.37) RBP4PGRCHRM2CHRM1CHRM3
SCHEMBL4519627 0.73 GPR119 (0.47) HSD17B1HSD17B2CHRM2CHRM1CHRM3

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 HSD17B1 769/4885HSD17B2 920/4885CYP3A4 398/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 HSD17B1 769/4885HSD17B2 920/4885CYP3A4 398/4885

“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.

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