SCHEMBL3778359

SCHEMBL3778359

O=C(O)N1CCC(Oc2ccc(N3CC(N4CCCN(c5ccccn5)CC4)C3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
FFAR1 O14842 1/20 0.46
DRD2 P14416 3/20 0.42
DRD4 P21917 1/20 0.42
CHRM2 P08172 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
FFAR4 Q5NUL3 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
SCHEMBL3779578 0.79 KCNH2 (0.47) DRD2DRD4ALDH1A1
SCHEMBL7402721 0.75 FFAR1 (0.55) HRH3FFAR1ALDH1A1KDM4EHSD17B10
SCHEMBL7399602 0.72 FFAR4 (0.48) HRH3FFAR1ALDH1A1KDM4EHSD17B10
SCHEMBL3774353 0.72 ALDH1A1 (0.55) HRH3ALDH1A1KDM4EHSD17B10
SCHEMBL20004100 0.71 FFAR1 (0.51) HRH3FFAR1DRD2DRD4ALDH1A1
SCHEMBL3775744 0.71 SLC6A7 (0.54) HRH3DRD2ALDH1A1KDM4E
SCHEMBL1459007 0.70 ALDH1A1 (0.68) ALDH1A1KDM4EHSD17B10
SCHEMBL7398640 0.70 GPR119 (0.45) HRH3FFAR1ALDH1A1KDM4EHSD17B10
SCHEMBL15703718 0.70 KMT2A (0.64) ALDH1A1KDM4EHSD17B10
SCHEMBL14647876 0.69 HRH3 (0.53) HRH3CHRM2ALDH1A1KDM4E

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
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US 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 HRH3 710/4885FFAR1 131/4885DRD2 1207/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC HRH3 710/4885FFAR1 131/4885DRD2 1207/4885

“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.