SCHEMBL737728

SCHEMBL737728

O=C(CCl)N(CC1(O)CCN(c2ccc(OCc3ccccc3)cc2)CC1)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 1/20 0.40
CCR5 P51681 1/20 0.40
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.39
S1PR5 Q9H228 1/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL737369 0.99 HRH3 (0.42) HRH3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL736647 0.99 HRH3 (0.41) HRH3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL4940466 0.97 MAPT (0.42) HRH3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL737545 0.77 MAPT (0.50) HRH3MAPTHTTALDH1A1LMNA
SCHEMBL4536337 0.77 OPRM1 (0.52) KMT2AL3MBTL1
SCHEMBL4940044 0.74 KDM4E (0.51) HRH3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL735913 0.74 KDM4E (0.48) HRH3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL736957 0.73 KDM4E (0.50) HRH3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL737726 0.73 MAPT (0.48) HRH3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL737638 0.72 RAB9A (0.46) HRH3MAPTSMN1; SMN2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228127-B Piperidine derivatives BANYU PHARMA CO LTD 2012-05-16 CN disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 HRH3 2/4885MAPT 4377/4885SMN1; SMN2 4135/4885

“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.