SCHEMBL16776146

SCHEMBL16776146

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccnc2)CCCCN3)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 12/20 0.48
▸ HTR2A P28223 10/20 0.48
▸ ABL1 P00519 2/20 0.41
▸ BCR P11274 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL16776144 0.90 KMT2A (0.44) ALDH1A1
SCHEMBL16776097 0.89 HTR2C (0.45) HTR2CHTR2AABL1BCR
SCHEMBL16776255 0.88 HTR2C (0.46) HTR2CHTR2A
SCHEMBL16776241 0.88 HTR2C (0.44) HTR2CHTR2AABL1BCR
SCHEMBL16785538 0.88 HTR2A (0.49) HTR2CHTR2A
SCHEMBL16775910 0.88 TSHR (0.48) HTR2CHTR2A
SCHEMBL16776226 0.87 HTR2C (0.45) HTR2CHTR2AABL1BCR
SCHEMBL16776011 0.86 CA9 (0.38) HTR2CHTR2AALDH1A1
SCHEMBL16776009 0.86 HTR2C (0.45) HTR2CHTR2AABL1BCR
SCHEMBL16776157 0.85 ROCK2 (0.36) ABL1BCR

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 4651/4885HTR2A 4386/4885ABL1 4089/4885

“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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