SCHEMBL353574

SCHEMBL353574

OCC1CN(Cc2ccccc2)CCO1.c1ccc(CN2CCCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 14/20 0.59
DRD2 P14416 4/20 0.55
DRD3 P35462 4/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LTA4H P09960 1/20 0.46

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
SCHEMBL13229950 0.90 DRD4 (0.59) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL5695486 0.89 DRD4 (0.71) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL1877824 0.89 DRD4 (0.71) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL352001 0.89 DRD4 (0.71) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL351719 0.82 HRH3 (0.64) DRD4HRH3ALDH1A1LTA4H
SCHEMBL24200050 0.81 HRH3 (0.62) DRD4HRH3ALDH1A1LTA4H
SCHEMBL17803030 0.80 DRD4 (0.57) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL21553759 0.80 DRD4 (0.57) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL7371617 0.79 DRD4 (0.76) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL7368320 0.79 DRD4 (0.59) DRD4DRD2DRD3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648190-B2 Process for producing 2-hydroxymethylmorpholine salt DAISO CO., LTD. (JP) 2014-02-11 US disclosed
EP-2388252-B1 PROCESS FOR PRODUCING 2-HYDROXYMETHYLMORPHOLINE SALT DAISO CO LTD (JP) 2013-07-24 EP disclosed
US-20120016120-A1 PROCESS FOR PRODUCING 2-HYDROXYMETHYLMORPHOLINE SALT DAISO CO., LTD. (JP) 2012-01-19 US disclosed
EP-2388252-A1 PROCESS FOR PRODUCING 2-HYDROXYMETHYLMORPHOLINE SALT Daiso Co., Ltd. (JP) 2011-11-23 EP disclosed
US-8040010-B2 Permanent magnet type generator and hybrid vehicle using the same HITACHI, LTD. (JP) 2011-10-18 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 (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-20120016120-A1 PROCESS FOR PRODUCING 2-HYDROXYMETHYLMORPHOLINE SALT THOP1, AVPR2, HPD DRD4 271/4885DRD2 200/4885DRD3 595/4885

“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.