SCHEMBL737237

SCHEMBL737237

[CH]1CCN1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
SLC18A3 Q16572 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
PHGDH O43175 1/20 0.30
MGLL Q99685 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL2005758 1.00 ALDH1A1 (0.34) ALDH1A1SLC18A3SMN1; SMN2CYP3A4CYP2C9
SCHEMBL738723 0.97
SCHEMBL737291 0.92
SCHEMBL2007511 0.85
SCHEMBL2009169 0.84 SLC18A3 (0.31) SLC18A3
SCHEMBL736119 0.84 SLC18A3 (0.31) SLC18A3
SCHEMBL737622 0.82 CTDSP1 (0.33) SLC18A3KMT2A
SCHEMBL2007704 0.82 CTDSP1 (0.33) SLC18A3KMT2A
SCHEMBL735469 0.81 CTDSP1 (0.31)
SCHEMBL204448 0.79 HTR6 (0.31)

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US claimed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US claimed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP claimed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO claimed
EP-1948629-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-30 EP claimed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO claimed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US claimed
EP-0403336-B1 Composition for the antifelting of wool and process of improvement CECA SA (FR) 1994-01-19 EP claimed
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US disclosed
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 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-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY5R, NPY4R ALDH1A1 4060/4885SLC18A3 1825/4885SMN1; SMN2 1972/4885
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 ALDH1A1 1717/4885SLC18A3 1611/4885SMN1; SMN2 2278/4885
US-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 ALDH1A1 3262/4885SLC18A3 1857/4885SMN1; SMN2 1335/4885

“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.