SCHEMBL3879137

SCHEMBL3879137

CCN(CC)c1nc(-c2ccccc2F)nc(N2CCN(c3ccccn3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
HK1 P19367 1/20 0.44
RAB9A P51151 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DHFR P00374 2/20 0.42
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
SORD Q00796 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL5442152 0.80 MAPK1 (0.58) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL5456665 0.80 MAPK1 (0.46) MAPTALDH1A1POLBNPC1HK1
SCHEMBL3876033 0.79 HPGD (0.50) MAPTALDH1A1POLBNPC1HK1
SCHEMBL3884151 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL3880560 0.76 HSD11B1 (0.48)
SCHEMBL3878588 0.74 ALDH1A1 (0.51) MAPTALDH1A1NPC1KDM4EHSD17B10
SCHEMBL3879801 0.73 GALR2 (0.45)
SCHEMBL3883367 0.72 GALR2 (0.49)
SCHEMBL5451394 0.71 MAPT (0.59) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL3880853 0.70 ALDH1A1 (0.50) MAPTALDH1A1NPC1HK1RAB9A

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 4004/4885ALDH1A1 920/4885POLB 3049/4885

“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.