SCHEMBL623894

SCHEMBL623894

O=C(c1n[nH]c2ccc(F)cc12)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.51
AHR P35869 2/20 0.42
NTRK1 P04629 2/20 0.42
LRRK2 Q5S007 8/20 0.42
ACACB O00763 1/20 0.41
TSHR P16473 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL624545 0.89 RBP4 (0.49) RBP4AHRTSHR
SCHEMBL624124 0.87 LRRK2 (0.45) RBP4AHRNTRK1LRRK2
SCHEMBL624128 0.85 LRRK2 (0.52) RBP4LRRK2
SCHEMBL622195 0.84 RBP4 (0.49) RBP4AHRLRRK2ACACBTSHR
SCHEMBL624703 0.81 HTR2A (0.41) RBP4ACACB
SCHEMBL624114 0.79 TSHR (0.43) ACACBTSHR
SCHEMBL624103 0.76 ENPP2 (0.50) ACACBTSHR
SCHEMBL622965 0.76 PTGS2 (0.43) ACACB
SCHEMBL15253894 0.75 TSHR (0.66) RBP4AHRTSHR
SCHEMBL623147 0.75 ALDH1A1 (0.52) LRRK2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US claimed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US claimed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 WO claimed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 WO 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-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers SCN5A, SCN2A, CACNA1G RBP4 4809/4885AHR 1931/4885NTRK1 2967/4885

“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.