SCHEMBL16776333

SCHEMBL16776333

CC(C)(F)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)CCCN3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 12/20 0.36
▸ HTR2B P41595 10/20 0.36
▸ HTR2A P28223 10/20 0.35
▸ CYP1A2 P05177 5/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ SLC5A1 P13866 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GMNN O75496 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL16775826 0.94 CA2 (0.40) HTR2CHTR2BHTR2ACYP1A2CA2
SCHEMBL16785651 0.91 CA2 (0.39) HTR2CHTR2BHTR2ACYP1A2CA2
SCHEMBL16776011 0.89 CA9 (0.38) HTR2CHTR2BHTR2ACA9MEN1
SCHEMBL16775916 0.87 FAAH (0.38) HTR2CHTR2AMEN1LMNATP53
SCHEMBL16776000 0.85 PRKCI (0.39) RPS6KA3RPS6KA2
SCHEMBL16785649 0.85 CA2 (0.39) HTR2CHTR2BHTR2ACYP1A2CA2
SCHEMBL16775829 0.84 CA2 (0.41) HTR2CHTR2ACA2CA9SLC5A1
SCHEMBL16776185 0.84 HTR2C (0.40) HTR2CHTR2BHTR2ACYP1A2KDM4E
SCHEMBL16776025 0.84 CYP11B2 (0.38) HTR2CHTR2BHTR2ACYP1A2
SCHEMBL16775824 0.84 HTR2A (0.50) HTR2CHTR2BHTR2ACYP1A2CA2

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4651/4885HTR2B 4224/4885HTR2A 4386/4885

“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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