SCHEMBL3878799

SCHEMBL3878799

CCCN1CCN(c2nc(-c3ccc(F)c(Cl)c3)cc(N3CCN(c4ncccc4C)CC3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.40
DRD2 P14416 1/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPV1 Q8NER1 3/20 0.37
RPS6KB1 P23443 3/20 0.37
AKT1 P31749 3/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
GALR2 O43603 1/20 0.36
GALR1 P47211 1/20 0.36
MCHR1 Q99705 1/20 0.36
AXL P30530 2/20 0.35
AVPR1A P37288 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
SCHEMBL3876390 0.89 GALR2 (0.46) TRPV1GALR2GALR1
SCHEMBL3877301 0.87 PIK3CA (0.48) KDM4ELMNATP53MAPTHPGD
SCHEMBL3880776 0.86 HRH4 (0.39) RPS6KB1AKT1PIK3C3HRH4MCHR1
SCHEMBL3878673 0.83 GALR2 (0.49) TRPV1GALR2GALR1
SCHEMBL907694 0.83 CASP1 (0.40) LMNATRPV1RPS6KB1AKT1HRH4
SCHEMBL907895 0.83 CETP (0.42) KDM4EHRH4
SCHEMBL3881353 0.83 TRPV1 (0.46) DRD4DRD2TRPV1RPS6KB1AKT1
SCHEMBL3880010 0.82 GALR2 (0.47) TRPV1GALR2GALR1
SCHEMBL908229 0.81 MTOR (0.39) DRD4DRD2TRPV1RPS6KB1AKT1
SCHEMBL3875754 0.81 TRPV1 (0.37) TRPV1

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 6 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-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 DRD4 3687/4885DRD2 1731/4885KDM4E 3890/4885

“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.