SCHEMBL5090958

SCHEMBL5090958

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 11/20 0.38
▸ RBP4 P02753 3/20 0.37
▸ CHRM2 P08172 2/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL5091095 0.83 PGR (0.38) PGRRBP4CHRM2CHRM1CHRM3
SCHEMBL5090969 0.82 SLC9A1 (0.38) PGRRBP4CHRM2CHRM1CHRM3
SCHEMBL13998575 0.82 SLC9A1 (0.38) PGRRBP4CHRM2CHRM1CHRM3
SCHEMBL5090995 0.79 HSD17B1 (0.46) PGRRBP4CHRM2CHRM1CHRM3
SCHEMBL5103709 0.77 GPR142 (0.40) PGRRBP4
SCHEMBL5096924 0.75 PIK3CA (0.43) RBP4
SCHEMBL5091903 0.75 MEN1 (0.37) PGRRBP4CHRM2CHRM1CHRM3
SCHEMBL5103257 0.74 RBP4 (0.35) PGRRBP4CHRM2CHRM1CHRM3
SCHEMBL4521161 0.74 CHRM2 (0.38) PGRCHRM2CHRM1CHRM3HDAC3
SCHEMBL5090892 0.69 MAPT (0.37) RBP4

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 PGR 798/4885RBP4 4043/4885CHRM2 125/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 PGR 798/4885RBP4 4043/4885CHRM2 125/4885

“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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