SCHEMBL623783

SCHEMBL623783

CC(C)COc1cc(N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
PIN1 Q13526 3/20 0.39
ACKR3 P25106 2/20 0.39
P2RY12 Q9H244 2/20 0.39
TLR7 Q9NYK1 1/20 0.38
HTR2C P28335 2/20 0.37
MGLL Q99685 1/20 0.37
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37

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
SCHEMBL623175 0.91 IRAK4 (0.44) TLR7
SCHEMBL623132 0.89 PTGDR2 (0.42) PTGDR2PIN1ACKR3P2RY12TLR7
SCHEMBL623490 0.89 ALDH1A1 (0.39) HTR2C
SCHEMBL624207 0.89 KMT2A (0.47) MGLL
SCHEMBL624123 0.86 PTGDR2 (0.43) PTGDR2PIN1ACKR3TLR7HTR2C
SCHEMBL622970 0.84 KMT2A (0.41) TLR7
SCHEMBL624208 0.84 SCD5 (0.57) SCDSCD5
SCHEMBL623692 0.83 HRH4 (0.47) MGLLSCDSCD5
SCHEMBL624375 0.82 HRH3 (0.37)
SCHEMBL624199 0.81 CYP1A2 (0.48) MGLL

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 PTGDR2 918/4885PIN1 1968/4885ACKR3 3657/4885

“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.