SCHEMBL737545

SCHEMBL737545

O=C(CCl)NCC1(O)CCN(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.46
CHRM4 P08173 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
PARP10 Q53GL7 1/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL738271 0.82 L3MBTL1 (0.48) MAPTLMNAHTTMEN1KMT2A
SCHEMBL4940466 0.80 MAPT (0.42) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL737638 0.79 RAB9A (0.46) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL736647 0.78 HRH3 (0.41) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL759551 0.78 MAPT (0.44) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL737726 0.78 MAPT (0.48) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL735913 0.77 KDM4E (0.48) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL4940044 0.77 KDM4E (0.51) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL737728 0.77 HRH3 (0.41) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL1981602 0.77 NPFFR1 (0.53) ALDH1A1

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
EP-1892241-B1 NOVEL PIPERIDINE DERIVATIVE MSD KK (JP) 2016-03-30 EP 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 MAPT 4377/4885ALDH1A1 1242/4885LMNA 4494/4885

“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.