SCHEMBL16776190

SCHEMBL16776190

C[C@@H]1CCCNc2ccc(-c3cccnc3)nc2N1C(=O)Nc1cccnn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 8/20 0.37
▸ KCNH2 Q12809 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GBA1 P04062 1/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ ADORA2B P29275 3/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ PORCN Q9H237 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAP2K5 Q13163 1/20 0.34

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
SCHEMBL16776200 0.90 FAAH (0.39) FAAHKCNH2HRH3CYP3A4PORCN
SCHEMBL16776247 0.88 ABL1 (0.37) FAAH
SCHEMBL16776121 0.88 PIM1 (0.35) FAAH
SCHEMBL16776148 0.88 GABRA1 (0.38) FAAHCYP3A4CYP2D6
SCHEMBL16776187 0.87 RPS6KA3 (0.41) FAAHKCNH2HRH3
SCHEMBL16776188 0.87 ATR (0.42) FAAHKCNH2HRH3KDM4EHDAC1
SCHEMBL16776263 0.85 FAAH (0.39) FAAH
SCHEMBL16776474 0.83 FAAH (0.39) FAAHADORA2A
SCHEMBL16776177 0.83 RPS6KA2 (0.40) FAAHKCNH2HRH3HDAC1HDAC2
SCHEMBL16776243 0.80 RPS6KA3 (0.39) KDM4E

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 FAAH 977/4885KCNH2 4052/4885HRH3 2288/4885

“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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