SCHEMBL6869808

SCHEMBL6869808

NC1CCC(NC(=O)c2cc(F)cc(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 18/20 0.56
PRSS1 P07477 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
ST14 Q9Y5Y6 2/20 0.51
F2 P00734 1/20 0.51

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
SCHEMBL2476158 0.91 NPC1 (0.56)
SCHEMBL30590268 0.90 SMYD3 (0.63) SMYD3PRSS1PRSS2PRSS3ST14
SCHEMBL4260732 0.85 SMYD3 (0.55) SMYD3PRSS1PRSS2PRSS3ST14
SCHEMBL4260734 0.85 SMYD3 (0.55) SMYD3PRSS1PRSS2PRSS3ST14
SCHEMBL24359879 0.83 NPC1 (0.49)
SCHEMBL24359915 0.83 NPC1 (0.71) SMYD3
SCHEMBL3809790 0.83 NPC1 (0.71) SMYD3
SCHEMBL19701286 0.83 SMYD3 (0.71) SMYD3
SCHEMBL21490142 0.83 SMYD3 (0.71) SMYD3
Hydrochloric Acid SCHEMBL25258854 0.82 NPC1 (0.69) SMYD3

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-6818772-B2 DIETETICS, SLEEP DISORDERS, EATING DISORDERS, SEXUAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ABBOTT LABORATORIES 2004-11-16 US disclosed
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor ABBVIE INC. 2003-12-11 US disclosed
WO-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 WO 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-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor MCHR1, MCHR2, MC1R SMYD3 1157/4885PRSS1 1568/4885PRSS2 3431/4885

“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.