SCHEMBL16776148

SCHEMBL16776148

C[C@@H]1CCCNc2ccc(-c3cncc(C(F)(F)F)c3)nc2N1C(=O)Nc1cccnn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.38
▸ ADRA2C P18825 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ TMEM97 Q5BJF2 2/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ FAAH O00519 8/20 0.36
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ SLC5A1 P13866 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ IL1B P01584 2/20 0.32
▸ KIT P10721 1/20 0.32

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
SCHEMBL16776190 0.88 FAAH (0.37) FAAHCYP3A4CYP2D6
SCHEMBL16776121 0.86 PIM1 (0.35) FAAHPIM1
SCHEMBL16776145 0.85 TRPV3 (0.35) HTR2AHTR2CHTR2BDYRK1ASLC5A1
SCHEMBL16776200 0.83 FAAH (0.39) FAAHCYP3A4
SCHEMBL16776247 0.80 ABL1 (0.37) FAAH
SCHEMBL16785576 0.80 HTR2A (0.41) HTR2AHTR2CFAAHKIT
SCHEMBL16785527 0.80 MC4R (0.39) DYRK1APIM1KIT
SCHEMBL16776263 0.79 FAAH (0.39) FAAHTRPV3KIT
SCHEMBL16776394 0.79 FAAH (0.34) GABRA1ADRA2CHTR2AHTR2CHTR2B
SCHEMBL16776230 0.79 PRMT5 (0.39) FAAHDYRK1AWNT1

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 GABRA1 3990/4885ADRA2C 4718/4885HTR2A 4386/4885

“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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