SCHEMBL623101

SCHEMBL623101

O=C(c1cnn(-c2ccccc2)c1)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MGLL Q99685 1/20 0.42
CCKAR P32238 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
SCN9A Q15858 2/20 0.41
SCN5A Q14524 1/20 0.40
EIF4A3 P38919 1/20 0.40
HPGDS O60760 1/20 0.40
ALKBH2 Q6NS38 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
SCHEMBL622742 0.85 CFTR (0.41) RAB9AHTTMAPTNPSR1SMN1; SMN2
SCHEMBL624261 0.80 ALDH1A1 (0.46) HTTMAPTNPSR1GAASMN1; SMN2
SCHEMBL624165 0.77 MEN1 (0.46) RAB9AHTTMAPTCYP2C9CYP2C19
SCHEMBL624189 0.77 TP53 (0.44) RAB9AHTTMAPTSMN1; SMN2CCKAR
SCHEMBL623899 0.77 PTK2 (0.51) RAB9AHTTSMN1; SMN2CCKARALDH1A1
SCHEMBL623686 0.75 KDM4E (0.48) HTTMAPTCYP2C9CYP2C19NPSR1
SCHEMBL623245 0.75 TSHR (0.53) RAB9AGAASMN1; SMN2CCKARALDH1A1
SCHEMBL624123 0.74 PTGDR2 (0.43) RAB9AHTTCCKARALDH1A1SCN9A
SCHEMBL624545 0.73 RBP4 (0.49) HTTMAPTNPSR1GAAALDH1A1
SCHEMBL623698 0.73 P2RY12 (0.45) RAB9ANPSR1CCKARALDH1A1MEN1

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 RAB9A 2419/4885HTT 362/4885MAPT 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.