SCHEMBL3881034

SCHEMBL3881034

Fc1ccc(-c2cc(N3CCN(c4ncccc4C(F)(F)F)CC3)ncn2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
EPHX2 P34913 1/20 0.48
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
HSD11B1 P28845 6/20 0.46
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3888365 0.91 HSD11B1 (0.49) MAPTTSHRHTTHSD17B10CYP1A2
SCHEMBL3945200 0.86 HSD11B1 (0.56) MAPTTSHRHTTHSD17B10CYP1A2
SCHEMBL3878855 0.84 GALR2 (0.48) EPHX2HSD11B1GAA
SCHEMBL3876557 0.80 GAA (0.47) HSD17B10HSD11B1GAA
SCHEMBL3888965 0.80 GALR2 (0.49)
SCHEMBL3889248 0.80 GALR2 (0.49)
SCHEMBL3877289 0.80 HSD11B1 (0.43) EPHX2HSD11B1
SCHEMBL3877377 0.78 RBP4 (0.46) EPHX2HSD11B1
SCHEMBL3888879 0.77 TRPV1 (0.49)
SCHEMBL3875989 0.77 HSD11B1 (0.48) EPHX2HSD11B1

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 4 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

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 MAPT 4004/4885TSHR 74/4885HTT 3746/4885

“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.