Sugi Predict

Sugi Predict / Compounds / SCHEMBL623166

SCHEMBL623166

SCHEMBL623166

COc1ccccc1-n1cc(C(=O)N2CCN(c3cc(OCC(C)C)ncn3)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ POLB P06746 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TACR3 P29371 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ NR4A1 P22736 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 0.87 CFTR (0.41) KMT2AMEN1NPSR1LMNATSHR
SCHEMBL623686 0.85 KDM4E (0.48) KMT2AMEN1POLBL3MBTL1CDK5
SCHEMBL623256 0.80 LMNA (0.46) KMT2AMEN1NPSR1LMNASMN1; SMN2
SCHEMBL623690 0.77 POLB (0.51) KMT2AMEN1POLBL3MBTL1LMNA
SCHEMBL624539 0.76 MGLL (0.44) KMT2AMEN1POLBLMNASMN1; SMN2
SCHEMBL623777 0.76 P2RY12 (0.46) NPSR1LMNATSHRTP53PKM
SCHEMBL624250 0.75 KDM4E (0.59) KMT2AMEN1NPSR1LMNASMN1; SMN2
SCHEMBL624167 0.75 TACR3 (0.55) KMT2AMEN1TACR3
SCHEMBL623267 0.75 KCNK3 (0.43) KMT2AMEN1HTR2ATSHRSMN1; SMN2
SCHEMBL624185 0.75 KDM4E (0.44) KMT2AMEN1POLBL3MBTL1NPSR1

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 KMT2A 1431/4885MEN1 4301/4885POLB 3044/4885

“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.