SCHEMBL5521077

SCHEMBL5521077

Cc1ccc(C)n1-c1nc(-c2ccc(C#N)cc2)cc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.51
GALR2 O43603 4/20 0.46
GALR1 P47211 4/20 0.46
HRH4 Q9H3N8 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
TRPV1 Q8NER1 2/20 0.44
EPHX2 P34913 1/20 0.43
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3881870 0.89 GALR2 (0.48) HSD11B1GALR2GALR1EPHX2GAA
SCHEMBL3877905 0.85 GALR2 (0.48) HSD11B1GALR2GALR1EPHX2
SCHEMBL3876775 0.78 GALR2 (0.51) HSD11B1GALR2GALR1TRPV1EPHX2
SCHEMBL3879917 0.77 PDE4D (0.53) HSD11B1GALR2GALR1TRPV1
SCHEMBL3877122 0.77 PDE4D (0.53) HSD11B1GALR2GALR1TRPV1
SCHEMBL3878577 0.77 GALR2 (0.54) HSD11B1GALR2GALR1TRPV1
SCHEMBL3942204 0.76 TRPV1 (0.47) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL3881331 0.75 TRPV1 (0.45) HSD11B1GALR2GALR1TRPV1EPHX2
SCHEMBL3878072 0.75 GALR2 (0.59) GALR2GALR1TRPV1
SCHEMBL3877850 0.74 EPHX2 (0.54) GALR2GALR1TRPV1EPHX2

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
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 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-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG HSD11B1 3915/4885GALR2 171/4885GALR1 270/4885

“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.