SCHEMBL19736204

SCHEMBL19736204

NCC(NC(=O)c1ccc2c(n1)N(C(=O)Nc1ccccn1)C1CCN2C1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.38
▸ CNR1 P21554 3/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ GRM5 P41594 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LPL P06858 1/20 0.33
▸ LIPC P11150 1/20 0.33

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
SCHEMBL17770526 1.00 CNR2 (0.38) CNR2CNR1TRPV1GRM5MEN1
SCHEMBL19714355 1.00 CNR2 (0.38) CNR2CNR1TRPV1GRM5MEN1
SCHEMBL17776956 0.93 NTRK1 (0.39) CNR2CNR1TRPV1GRM5MEN1
SCHEMBL19706791 0.93 NTRK1 (0.39) CNR2CNR1TRPV1GRM5MEN1
SCHEMBL16754638 0.93 NTRK1 (0.39) CNR2CNR1TRPV1GRM5MEN1
SCHEMBL19736485 0.93 NTRK1 (0.39) CNR2CNR1TRPV1GRM5MEN1
SCHEMBL19714367 0.92 CNR2 (0.38) CNR2CNR1TRPV1MEN1KMT2A
SCHEMBL19714561 0.92 CNR2 (0.39) CNR2CNR1TRPV1GRM5MEN1
SCHEMBL19736435 0.92 CNR2 (0.38) CNR2CNR1TRPV1MEN1KMT2A
SCHEMBL19714486 0.92 CNR2 (0.38) CNR2CNR1TRPV1MEN1KMT2A

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
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 3062/4885CNR1 3100/4885TRPV1 3814/4885

“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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