SCHEMBL16776454

SCHEMBL16776454

CC(C)(C)CC(=O)CCc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccncc2)CCCCN3)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ CDK8 P49336 2/20 0.33
▸ FAAH O00519 2/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP4F2 P78329 2/20 0.32
▸ CYP4A11 Q02928 2/20 0.32
▸ PRKCI P41743 1/20 0.32
▸ WDR5 P61964 1/20 0.32
▸ SLC5A1 P13866 2/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.31

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
SCHEMBL16776457 0.85 WDR5 (0.39) FAAHLMNAWDR5
SCHEMBL16776144 0.83 KMT2A (0.44) FAAHCNR1LMNAPRKCIPDPK1
SCHEMBL16776476 0.80 CA2 (0.43) HTR2AHTR2CHTR2B
SCHEMBL16775920 0.77 FAAH (0.41) HTR1ADRD2FAAHLMNA
SCHEMBL16776179 0.74 CA2 (0.45) CDK8FAAH
SCHEMBL16776146 0.74 HTR2C (0.48) HTR2AHTR2C
SCHEMBL16776432 0.73 CA2 (0.40) FAAH
SCHEMBL16776447 0.73 CA2 (0.41) FAAHCNR1LMNA
SCHEMBL16776398 0.72 MMP2 (0.37) FAAHCNR1SYK
SCHEMBL16776165 0.72 CA2 (0.43) CDK8FAAHLMNA

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
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 HTR1A 4632/4885DRD2 4619/4885CDK8 530/4885

“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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