SCHEMBL3877829

SCHEMBL3877829

C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1c1cc(-c2ccc(F)cc2)nc(N2CCCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 4/20 0.49
GALR1 P47211 4/20 0.49
MAPK1 P28482 4/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
TRPV1 Q8NER1 5/20 0.47
HSD11B1 P28845 4/20 0.42

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
SCHEMBL13761487 0.99 TRPV1 (0.48) GALR2GALR1MAPK1HSD17B10KDM4E
SCHEMBL3878708 0.92 GALR2 (0.49) GALR2GALR1TRPV1HSD11B1
SCHEMBL3883969 0.92 GALR2 (0.47) GALR2GALR1TRPV1HSD11B1
SCHEMBL3881863 0.91 GALR2 (0.49) GALR2GALR1TRPV1HSD11B1
SCHEMBL3882725 0.91 TRPV1 (0.47) GALR2GALR1MAPK1HSD17B10TRPV1
SCHEMBL3942023 0.90 GALR2 (0.47) GALR2GALR1TRPV1HSD11B1
SCHEMBL3878981 0.90 GALR2 (0.48) GALR2GALR1TRPV1HSD11B1
SCHEMBL3878375 0.89 GALR2 (0.46) GALR2GALR1TRPV1HSD11B1
SCHEMBL13766201 0.89 HSD17B10 (0.44) GALR2GALR1MAPK1HSD17B10KDM4E
SCHEMBL3880752 0.88 TRPV1 (0.47) GALR2GALR1MAPK1HSD17B10KDM4E

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 GALR2 171/4885GALR1 270/4885MAPK1 3202/4885

“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.