SCHEMBL3265496

SCHEMBL3265496

CCCCCN1CCCC1O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.50
S1PR3 Q99500 2/20 0.50
S1PR5 Q9H228 2/20 0.50
S1PR4 O95977 1/20 0.50
GBA1 P04062 6/20 0.47
GBA2 Q9HCG7 12/20 0.42
GAA P10253 2/20 0.42
BCHE P06276 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
SCHEMBL2850065 0.94 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL28123990 0.94 GBA2 (0.47) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL3428819 0.92 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL10590808 0.92 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4GBA1
Methane SCHEMBL6600535 0.91 S1PR1 (0.48) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL4229106 0.88 GBA2 (0.46) S1PR1S1PR3S1PR5S1PR4GBA1
Pyrrolidine SCHEMBL4393172 0.85 GBA1 (0.43) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL27675556 0.79 GBA1 (0.43) S1PR1S1PR3S1PR5GBA1GAA
SCHEMBL1360772 0.79 OPRD1 (0.36) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL23767407 0.79 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155671-B1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2017-12-20 EP disclosed
WO-2017127528-A1 PEPTOID AGONISTS OF FIBROBLAST GROWTH RECEPTORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-07-27 WO disclosed
US-9206122-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-20150025253-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-22 US disclosed
EP-2825532-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2015-01-21 EP disclosed
WO-2013135724-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-19 WO disclosed
US-8188301-B2 Disubstituted phenylpyrrolidines as modulators of cortical catecholaminergic neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-05-29 US disclosed
US-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 US disclosed
EP-2155671-A2 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-02-24 EP disclosed
EP-1777218-B1 Process for the preparation of 4-phenoxy quinoline derivatives EISAI R&D MAN CO LTD (JP) 2008-12-31 EP disclosed
WO-2008148801-A2 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL OF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-12-11 WO 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-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, DBH, SLC6A2 S1PR1 394/4885S1PR3 373/4885S1PR5 361/4885
US-20150025253-A1 PESTICIDAL ARYLPYRROLIDINES DDT, ACHE, NPEPPS S1PR1 1279/4885S1PR3 960/4885S1PR5 1206/4885

“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.