SCHEMBL16776097

SCHEMBL16776097

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.45
▸ HTR2A P28223 6/20 0.45
▸ ATR Q13535 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ GRM5 P41594 1/20 0.40
▸ SGMS2 Q8NHU3 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39

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
SCHEMBL16776009 0.97 HTR2C (0.45) HTR2CHTR2AATRCNR1GRM5
SCHEMBL16776020 0.89 CYP11B2 (0.38) HTR2CHTR2AATRCNR1GRM5
SCHEMBL16776146 0.89 HTR2C (0.48) HTR2CHTR2AABL1BCR
SCHEMBL16776096 0.87 USP30 (0.39) CYP11B2
SCHEMBL16785538 0.86 HTR2A (0.49) HTR2CHTR2A
SCHEMBL16775910 0.85 TSHR (0.48) HTR2CHTR2A
SCHEMBL16776018 0.85 FAAH (0.38) CNR1GRM5CYP11B2
SCHEMBL16776094 0.84 GRM5 (0.42) GRM5CYP11B2
SCHEMBL16776019 0.84 FGFR4 (0.42) CNR1GRM5
SCHEMBL16776173 0.84 HTR2C (0.47) HTR2CHTR2ANPC1RAB9A

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 HTR2C 4651/4885HTR2A 4386/4885ATR 1867/4885

“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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