SCHEMBL16775904

SCHEMBL16775904

C[C@@H]1CCNc2ccc(-c3cccc(Cl)c3)nc2N1C(=O)Nc1cnccn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.42
▸ POLB P06746 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CNR2 P34972 2/20 0.39
▸ KARS1 Q15046 3/20 0.38
▸ FAAH O00519 2/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ FYN P06241 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ KMO O15229 1/20 0.35

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
SCHEMBL16775991 0.89 THRB (0.39) GRM5KARS1SIRT2
SCHEMBL16776055 0.87 KARS1 (0.49) KARS1FAAHSIRT2
SCHEMBL16776376 0.87 POLB (0.41) GRM5POLBMEN1KMT2ACNR2
SCHEMBL16775907 0.85 PHGDH (0.39) GRM5MEN1KMT2ACNR2KDM4E
SCHEMBL16776023 0.84 GSK3B (0.36) KARS1FAAHKDM4EMAPTRAB9A
SCHEMBL16775908 0.84 FAAH (0.39) GRM5CNR2FAAH
SCHEMBL16776047 0.84 KARS1 (0.36) KARS1FAAHSIRT2FYN
SCHEMBL16776139 0.84 KARS1 (0.36) KARS1FAAHSIRT2FYN
SCHEMBL16776465 0.81 NPC1 (0.36) KMT2AKARS1FAAHRAB9A
SCHEMBL16776240 0.80 WNT1 (0.35) KARS1KDM4EMAPTRAB9A

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 GRM5 3471/4885POLB 961/4885MEN1 3676/4885

“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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