SCHEMBL6101481

SCHEMBL6101481

C[C@@H]1CN(c2cc3c(cc2F)CCN3)C[C@H](C)N1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GHSR Q92847 7/20 0.36
AR P10275 1/20 0.33
CPS1 P31327 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
P4HB P07237 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6101478 1.00 HTT (0.37) HTTKDM4EGHSRARCPS1
SCHEMBL6959227 1.00 HTT (0.37) HTTKDM4EGHSRARCPS1
SCHEMBL6609050 0.84 KDM4E (0.36) HTTKDM4EARCPS1HTR2A
SCHEMBL6609051 0.84 KDM4E (0.36) HTTKDM4EARCPS1HTR2A
SCHEMBL6099305 0.84 HTT (0.35) HTTGHSRARDRD2DRD4
SCHEMBL6099303 0.84 HTT (0.35) HTTGHSRARDRD2DRD4
SCHEMBL6101343 0.83 HTT (0.45) HTTGHSRARHTR2AHTR2C
SCHEMBL6101340 0.83 HTT (0.45) HTTGHSRARHTR2AHTR2C
SCHEMBL6100980 0.81 GHSR (0.45) GHSR
SCHEMBL6100983 0.81 GHSR (0.45) GHSR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109201-B2 Piperazine derivatives, their preparation and uses in therapy SMITHKLINE BEECHAM PLC (GB) 2006-09-19 US disclosed
EP-1368337-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS 5-HT1B LIGANDS SMITHKLINE BEECHAM PLC (GB) 2005-06-15 EP disclosed
US-20040142925-A1 Piperazine derivatives their preparation and uses in therapy SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-22 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-20040142925-A1 Piperazine derivatives their preparation and uses in therapy NR3C2, NR2C2, NR3C1 HTT 1367/4885KDM4E 2683/4885GHSR 270/4885

“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.