SCHEMBL17778720

SCHEMBL17778720

Cc1ccc(-c2nc3c(cc2Cl)N2CC[C@@H](C2)N3C(=O)Nc2cccnc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 17/20 0.45
▸ HTR2A P28223 16/20 0.45
▸ HTR2B P41595 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL19689779 0.92 HTR2C (0.43) HTR2CHTR2AHTR2B
SCHEMBL17768133 0.92 HTR2A (0.42) HTR2CHTR2AHTR2BKMT2A
SCHEMBL17767930 0.91 HTR2A (0.39) HTR2CHTR2AHTR2BKMT2A
SCHEMBL17767932 0.90 HTR2A (0.45) HTR2CHTR2A
SCHEMBL17767981 0.89 HTR2C (0.44) HTR2CHTR2AHTR2BKMT2A
SCHEMBL17778698 0.89 HTR2C (0.44) HTR2CHTR2AHTR2BKMT2A
SCHEMBL17778820 0.88 HTR2C (0.46) HTR2CHTR2AHTR2BKMT2A
SCHEMBL20721046 0.87 HTR2C (0.42) HTR2CHTR2AHTR2B
SCHEMBL17768123 0.87 MALT1 (0.39) —
SCHEMBL19706727 0.87 HTR2A (0.36) HTR2CHTR2AHTR2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4743/4885HTR2A 4656/4885HTR2B 4403/4885

“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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