SCHEMBL1332745

SCHEMBL1332745

C1=C(C(CCN2CCN(CCOc3ccccc3)CC2)Cc2ccccc2)OCO1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
LTA4H P09960 9/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
KCNA5 P22460 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL1333967 0.93 HTR1A (0.44) LTA4HTMEM97SIGMAR1
SCHEMBL2157360 0.84 SLC6A4 (0.48) LTA4HTMEM97SIGMAR1
Hydrochloric Acid SCHEMBL2157274 0.83 SLC6A4 (0.48) LTA4HTMEM97SIGMAR1
Hydrochloric Acid SCHEMBL2158456 0.83 KCNA5 (0.45) ALDH1A1LTA4HTMEM97SIGMAR1KCNA5
Hydrochloric Acid SCHEMBL2157331 0.74 KCNA5 (0.48) ALDH1A1PKMLTA4HTMEM97SIGMAR1
SCHEMBL1299631 0.74 SIGMAR1 (0.52) ALDH1A1SIGMAR1KMT2A
Hydrochloric Acid SCHEMBL1299136 0.73 SIGMAR1 (0.51) ALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL3208887 0.73 MIF (0.37) ALDH1A1PKMSIGMAR1TDP1MEN1
SCHEMBL2157136 0.71 SLC6A3 (0.47)
SCHEMBL938718 0.70 EPHX1 (0.37) ALDH1A1PKMSIGMAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US claimed
EP-1978959-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-09 EP claimed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
EP-2340835-A1 Piperidine and piperazine derivatives M's Science Corporation (JP) 2011-07-06 EP disclosed
EP-1976525-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2010-11-03 EP disclosed
US-20100256162-A1 Piperazine and Piperidine Derivatives AGY THERAPEUTICS, INC. (US) 2010-10-07 US disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US 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 (3 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-20100137334-A1 Piperidine and Piperazine Derivatives SIGMAR1, OPRM1, OPRD1 ALDH1A1 509/4885PKM 1124/4885LTA4H 2934/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 ALDH1A1 1025/4885PKM 762/4885LTA4H 3597/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 ALDH1A1 1035/4885PKM 750/4885LTA4H 3616/4885

“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.