SCHEMBL624545

SCHEMBL624545

O=C(c1n[nH]c2ccccc12)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 6/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
DRD2 P14416 2/20 0.47
DRD3 P35462 1/20 0.47
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GRM5 P41594 1/20 0.43
AHR P35869 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
FLT3 P36888 1/20 0.42
HPGD P15428 1/20 0.41
MAPK10 P53779 2/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL623894 0.89 RBP4 (0.51) RBP4TSHRAHR
SCHEMBL623147 0.85 ALDH1A1 (0.52) ALDH1A1MAPTDRD2DRD3TSHR
SCHEMBL624765 0.82 ALDH1A1 (0.50) RBP4ALDH1A1MAPTDRD2DRD3
SCHEMBL624639 0.81 DRD2 (0.51) RBP4ALDH1A1MAPTDRD2TSHR
SCHEMBL624189 0.79 TP53 (0.44) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL624147 0.79 MAPK14 (0.48) MAPTLMNAGAAHTT
SCHEMBL624216 0.78 RAB9A (0.42) RBP4ALDH1A1MAPTDRD2TSHR
SCHEMBL623694 0.77 RAB9A (0.42) ALDH1A1MAPTTSHRLMNAMEN1
SCHEMBL620825 0.77 KDM4E (0.44) ALDH1A1MAPTTSHRLMNAMEN1
SCHEMBL623910 0.76 LMNA (0.42) ALDH1A1TSHRLMNAHTT

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 4809/4885ALDH1A1 2071/4885MAPT 3432/4885

“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.