SCHEMBL17618777

SCHEMBL17618777

O=C(NCCCCc1ccccc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 3/20 0.42
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ IDH2 P48735 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ CHRM4 P08173 3/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL17618776 0.98 ASAH1 (0.40) ASAH1DRD2DRD3IDH2TSHR
SCHEMBL16238924 0.94 TP53 (0.42) IDH2TSHRKMT2ACHRM2CHRM4
SCHEMBL17618785 0.92 CHRM4 (0.40) IDH2TSHRKMT2ACHRM4
SCHEMBL19346987 0.90 CASP6 (0.41) DRD2DRD3IDH2TSHRKMT2A
SCHEMBL19346988 0.90 CASP6 (0.41) DRD2DRD3IDH2TSHRKMT2A
SCHEMBL19699710 0.90 ITGB2 (0.42) DRD2DRD3IDH2TSHRKMT2A
SCHEMBL19689730 0.90 ITGB2 (0.42) DRD2DRD3IDH2TSHRKMT2A
SCHEMBL17618775 0.90 TRPV4 (0.45) IDH2TSHRKMT2ACHRM2TRPV4
SCHEMBL17618823 0.90 KMT2A (0.43) TSHRKMT2ACHRM4
SCHEMBL17618790 0.88 CHRM4 (0.41) IDH2TSHRKMT2ACHRM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ASAH1 2973/4885DRD2 4539/4885DRD3 4483/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ASAH1 2559/4885DRD2 4619/4885DRD3 4572/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ASAH1 2559/4885DRD2 4619/4885DRD3 4572/4885

“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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