SCHEMBL19714249

SCHEMBL19714249

O=C(NC1CCCCC1)c1ccc2c(n1)N(C(=O)Nc1ccccn1)[C@H]1CCN2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GRM5 P41594 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ MET P08581 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38

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
SCHEMBL19714365 0.99 ALDH1A1 (0.42) MAPTHSD11B1MEN1KMT2ACYP1A2
SCHEMBL16754631 0.97 GRM5 (0.42) MAPTHSD11B1MEN1KMT2ACYP1A2
SCHEMBL17777053 0.97 GRM5 (0.42) MAPTHSD11B1MEN1KMT2ACYP1A2
SCHEMBL16754448 0.95 DRD2 (0.39) MAPTHSD11B1MEN1KMT2AALDH1A1
SCHEMBL22239709 0.95 DRD2 (0.39) MAPTHSD11B1MEN1KMT2AALDH1A1
SCHEMBL17769702 0.92 GRM5 (0.40) MAPTHSD11B1MEN1KMT2ACYP1A2
SCHEMBL20720999 0.92 GRM5 (0.40) MAPTHSD11B1MEN1KMT2ACYP1A2
SCHEMBL16754328 0.91 NTRK1 (0.39) GRM5DRD2DRD4DRD3
SCHEMBL19670604 0.91 NTRK1 (0.39) GRM5DRD2DRD4DRD3
SCHEMBL19714016 0.90 NTRK1 (0.38) HSD11B1MEN1KMT2AALDH1A1SMN1; SMN2

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 5 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 claimed
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2018-09-11 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US 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 (2 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-10072011-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAPT 290/4885HSD11B1 2681/4885MEN1 3209/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 290/4885HSD11B1 2681/4885MEN1 3209/4885

“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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