SCHEMBL623662

SCHEMBL623662

O=C(COc1ncnc2ccccc12)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.63
POLB P06746 2/20 0.54
TSHR P16473 3/20 0.51
CYP2C19 P33261 1/20 0.49
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IDE P14735 1/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 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
SCHEMBL624183 0.81 ACACB (0.41) SMN1; SMN2MAPTKDM4EALDH1A1RECQL
SCHEMBL624103 0.80 ENPP2 (0.50) SMN1; SMN2TSHRMEN1KMT2AMAPT
SCHEMBL624370 0.79 ENPP2 (0.54) SMN1; SMN2TSHRKMT2AMAPTKDM4E
SCHEMBL623694 0.77 RAB9A (0.42) SMN1; SMN2TSHRCYP2C19MEN1KMT2A
SCHEMBL620825 0.77 KDM4E (0.44) SMN1; SMN2TSHRMEN1KMT2AMAPT
SCHEMBL622994 0.76 LMNA (0.50) SMN1; SMN2POLBMAPTKDM4EALDH1A1
SCHEMBL623214 0.76 KDM4E (0.52) SMN1; SMN2POLBTSHRMEN1KMT2A
SCHEMBL624545 0.76 RBP4 (0.49) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL622196 0.76 CYP3A4 (0.54) SMN1; SMN2POLBTSHRCYP2C19MEN1
SCHEMBL623698 0.76 P2RY12 (0.45) TSHRMEN1KMT2AKDM4EALDH1A1

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 SMN1; SMN2 598/4885POLB 3044/4885TSHR 1643/4885

“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.