SCHEMBL1691370

SCHEMBL1691370

CNC(=O)c1ccnc(NC(=O)N2CCC3(CC2)CC(=O)c2ccc(F)cc2O3)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ HDAC8 Q9BY41 6/20 0.42
▸ HDAC6 Q9UBN7 6/20 0.42
▸ HDAC3 O15379 5/20 0.42
▸ HDAC4 P56524 5/20 0.42
▸ HDAC1 Q13547 5/20 0.42
▸ HDAC7 Q8WUI4 5/20 0.42
▸ HDAC2 Q92769 5/20 0.42
▸ HDAC10 Q969S8 5/20 0.42
▸ HDAC11 Q96DB2 5/20 0.42
▸ HDAC9 Q9UKV0 5/20 0.42
▸ HDAC5 Q9UQL6 5/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ CHRNA7 P36544 2/20 0.41
▸ TRPM8 Q7Z2W7 2/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38

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
Hydrochloric Acid SCHEMBL1691580 0.99 RAF1 (0.42) RAF1KCNH2HDAC8HDAC6HDAC3
SCHEMBL1691479 0.90 HSD11B1 (0.48) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL1691266 0.90 HDAC8 (0.42) RAF1KCNH2HDAC8HDAC6HDAC3
SCHEMBL1691279 0.90 TRPM8 (0.42) KCNH2TRPM8EPHX2
SCHEMBL1690972 0.88 TRPM8 (0.48) KCNH2TRPM8EPHX2
SCHEMBL538766 0.86 TRPM8 (0.48) RAF1TRPM8EPHX2
SCHEMBL538498 0.85 RAF1 (0.43) RAF1KCNH2HDAC8HDAC6HDAC3
SCHEMBL1690859 0.84 TRPM8 (0.57) KCNH2TRPM8EPHX2
SCHEMBL1691190 0.81 TRPM8 (0.48) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL1691056 0.80 TRPM8 (0.57) HDAC8HDAC6HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 — — US claimed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 — — US disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 — — 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-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 RAF1 2320/4885KCNH2 4643/4885HDAC8 196/4885

“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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