SCHEMBL16756282

SCHEMBL16756282

Cc1nc2ccc(-c3cnc(N4C[C@H]5CC[C@@H](C4)C5C(=O)O)nc3)cc2n1Cc1cc(Cl)ccc1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.39
CDK9 P50750 1/20 0.36
SPHK1 Q9NYA1 2/20 0.36
GRIN1 Q05586 6/20 0.35
GRIN2B Q13224 6/20 0.35
TNF P01375 1/20 0.35
EIF4EBP1 Q13541 2/20 0.34
PPARD Q03181 5/20 0.33
PPARA Q07869 1/20 0.33
PDE4B Q07343 1/20 0.33
ALOX5AP P20292 1/20 0.33

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
SCHEMBL16756279 1.00 GPR6 (0.39) GPR6CDK9SPHK1GRIN1GRIN2B
SCHEMBL16756281 1.00 GPR6 (0.39) GPR6CDK9SPHK1GRIN1GRIN2B
SCHEMBL16756364 0.90 TNF (0.38) GPR6TNFEIF4EBP1
SCHEMBL16756450 0.90 TNF (0.38) GPR6TNFEIF4EBP1
Hydrochloric Acid SCHEMBL16756470 0.82 GPR6 (0.37) GPR6CDK9SPHK1GRIN1GRIN2B
SCHEMBL16756405 0.80 GPR6 (0.36) GPR6CDK9SPHK1GRIN1GRIN2B
SCHEMBL16756456 0.80 TNF (0.43) TNFPPARDPPARA
SCHEMBL16756453 0.80 TNF (0.43) TNFPPARDPPARA
SCHEMBL16756455 0.80 TNF (0.43) TNFPPARDPPARA
SCHEMBL16756337 0.79 GPR6 (0.38) GPR6CDK9SPHK1GRIN1GRIN2B

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-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA GPR6 2472/4885CDK9 1687/4885SPHK1 1932/4885

“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.