SCHEMBL3776372

SCHEMBL3776372

O=C(c1ccc(C#Cc2ccccc2)o1)N1CC(N2CCN(c3ccccn3)CC2)C1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.79
NPSR1 Q6W5P4 2/20 0.79
MAPT P10636 2/20 0.79
TP53 P04637 2/20 0.79
MAPK1 P28482 2/20 0.79
CHRNA4 P43681 1/20 0.56
ALDH1A1 P00352 3/20 0.53
GAA P10253 3/20 0.48
USP2 O75604 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL15703688 0.83 ALDH1A1 (0.55) TSHRNPSR1MAPTTP53MAPK1
SCHEMBL3771413 0.78 TSHR (0.53) TSHRNPSR1MAPTTP53MAPK1
SCHEMBL15703623 0.76 ALDH1A1 (0.58) TSHRNPSR1MAPTMAPK1ALDH1A1
SCHEMBL3776887 0.76 HSD17B10 (0.55) TSHRNPSR1MAPTTP53MAPK1
SCHEMBL3764024 0.75 ALDH1A1 (0.54) TSHRNPSR1MAPTTP53MAPK1
SCHEMBL3770825 0.75 ALDH1A1 (0.61) TSHRMAPTMAPK1ALDH1A1GAA
SCHEMBL15703668 0.75 ALDH1A1 (0.76) TSHRMAPTMAPK1ALDH1A1GAA
SCHEMBL3778277 0.73 GAA (0.57) TSHRNPSR1MAPTTP53MAPK1
SCHEMBL15703656 0.73 MAPK1 (0.64) TSHRNPSR1MAPTMAPK1ALDH1A1
SCHEMBL3770240 0.72 MEN1 (0.58) TSHRMAPK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP disclosed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US disclosed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-07-18 US disclosed
US-8415341-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US disclosed
US-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 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 (2 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-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC TSHR 1108/4885NPSR1 582/4885MAPT 4742/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC TSHR 1108/4885NPSR1 582/4885MAPT 4742/4885

“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.