SCHEMBL19699058

SCHEMBL19699058

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)[C@@H]2CCN3C2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL19670176 0.90 CNR1 (0.36) FAAHTSHRMAPTHTR2AHTR2C
SCHEMBL19669061 0.90 LIMK2 (0.36) USP2CA9FAAHTSHRMAPT
SCHEMBL17618507 0.90 CNR1 (0.36) FAAHTSHRMAPTHTR2AHTR2C
SCHEMBL17618432 0.90 CNR1 (0.36) FAAHTSHRMAPTHTR2AHTR2C
SCHEMBL19703431 0.89 LPL (0.39) CA9MAPTHTR2AHTR2CMEN1
SCHEMBL19703434 0.89 LPL (0.39) CA9MAPTHTR2AHTR2CMEN1
SCHEMBL17618355 0.89 LPL (0.39) CA9MAPTHTR2AHTR2CMEN1
SCHEMBL17618495 0.89 TRPV3 (0.37) —
SCHEMBL17618511 0.88 SCD (0.39) GSK3BDYRK1AMAPT
SCHEMBL19699039 0.88 HTR2C (0.46) USP2MAPTHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 USP2 218/4885CA9 4248/4885FAAH 977/4885

“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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