SCHEMBL3876846

SCHEMBL3876846

Cc1cccc(-c2nc(N3CCOCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.49
PIK3CA P42336 2/20 0.48
TRPV1 Q8NER1 7/20 0.48
GALR2 O43603 1/20 0.47
GALR1 P47211 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
HSD11B1 P28845 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL3877744 0.91 GALR2 (0.56) TRPV1GALR2GALR1HRH4HSD11B1
SCHEMBL3876763 0.90 GALR2 (0.57) TRPV1GALR2GALR1HRH4HSD11B1
SCHEMBL3878613 0.90 GALR2 (0.57) TRPV1GALR2GALR1HRH4HSD11B1
SCHEMBL3876757 0.89 MTOR (0.53) MTORPIK3CATRPV1ATMNPSR1
SCHEMBL3878211 0.89 NPSR1 (0.57) MTORTRPV1ATMNPSR1TDP1
SCHEMBL3889718 0.89 HSD11B1 (0.53) MTORPIK3CATRPV1GALR2GALR1
SCHEMBL3882297 0.89 NPSR1 (0.54) MTORTRPV1ATMNPSR1TDP1
SCHEMBL3888789 0.88 MTOR (0.49) MTORPIK3CATRPV1GALR2GALR1
SCHEMBL3877647 0.88 HSD11B1 (0.52) MTORPIK3CATRPV1ATMNPSR1
SCHEMBL3878692 0.88 TRPV1 (0.48) PIK3CATRPV1GALR2GALR1HRH4

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 claimed
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-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

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 MTOR 2949/4885PIK3CA 1107/4885TRPV1 244/4885

“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.