SCHEMBL5090969

SCHEMBL5090969

NC(=NO)c1ccc2c(c1)Oc1ccccc1C2C1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 8/20 0.38
▸ CYP2C9 P11712 5/20 0.38
▸ CYP2C19 P33261 5/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PGR P06401 4/20 0.36
▸ ADRA1D P25100 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ SLC9A2 Q9UBY0 1/20 0.35
▸ RBP4 P02753 2/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ FFAR2 O15552 1/20 0.35
▸ CHRM2 P08172 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ CHRM3 P20309 2/20 0.34
▸ KDM1A O60341 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
SCHEMBL13998575 1.00 SLC9A1 (0.38) SLC9A1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL5090958 0.82 PGR (0.38) CYP2C19PGRRBP4CHRM2CHRM1
SCHEMBL5091095 0.81 PGR (0.38) CYP2C19PGRRBP4CHRM2CHRM1
SCHEMBL5090995 0.79 HSD17B1 (0.46) SLC9A1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL5103709 0.77 GPR142 (0.40) PGRRBP4
SCHEMBL5103257 0.74 RBP4 (0.35) PGRRBP4CHRM2CHRM1CHRM3
SCHEMBL13711484 0.74 CHRM2 (0.38) FFAR2CHRM2CHRM1CHRM3
SCHEMBL5091903 0.73 MEN1 (0.37) PGRRBP4CHRM2CHRM1CHRM3
SCHEMBL3963938 0.70 SETD7 (0.31) FFAR2
SCHEMBL13627442 0.70 SETD7 (0.31) FFAR2

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 2 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-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 SLC9A1 3661/4885CYP2C9 322/4885CYP2C19 319/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 SLC9A1 3661/4885CYP2C9 322/4885CYP2C19 319/4885

“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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