SCHEMBL623671

SCHEMBL623671

Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
USP2 O75604 1/20 0.55
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 1/20 0.53
TSHR P16473 2/20 0.52
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL623264 0.87 SMN1; SMN2 (0.57) POLBSMN1; SMN2HTTUSP2KDM4E
SCHEMBL15391489 0.76 LMNA (0.73) POLBSMN1; SMN2HTTUSP2KDM4E
SCHEMBL624123 0.76 PTGDR2 (0.43) HTTALDH1A1
SCHEMBL624189 0.75 TP53 (0.44) SMN1; SMN2HTTKDM4EALDH1A1LMNA
SCHEMBL624261 0.75 ALDH1A1 (0.46) SMN1; SMN2HTTKDM4EALDH1A1LMNA
SCHEMBL624639 0.74 DRD2 (0.51) SMN1; SMN2HTTKDM4EALDH1A1LMNA
SCHEMBL4753323 0.74 POLB (0.66) POLBSMN1; SMN2HTTUSP2KDM4E
SCHEMBL624165 0.73 MEN1 (0.46) SMN1; SMN2HTTKDM4EALDH1A1LMNA
SCHEMBL624701 0.73 MAPT (0.43) SMN1; SMN2HTTUSP2KDM4EALDH1A1
SCHEMBL623698 0.73 P2RY12 (0.45) KDM4EALDH1A1LMNATP53KMT2A

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 8 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
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 POLB 3044/4885SMN1; SMN2 598/4885HTT 362/4885

“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.