SCHEMBL3265494

SCHEMBL3265494

CCCCCC1CCCN1O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 3/20 0.49
S1PR5 Q9H228 3/20 0.49
S1PR4 O95977 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
LSS P48449 2/20 0.41
SPHK2 Q9NRA0 5/20 0.40
SPHK1 Q9NYA1 5/20 0.40
EPHX1 P07099 1/20 0.35
BCHE P06276 2/20 0.35
OPRD1 P41143 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL2850062 0.94 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL27656406 0.94 S1PR1 (0.43) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL3425650 0.92 S1PR1 (0.52) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL27685420 0.92 S1PR1 (0.52) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL3426408 0.92 S1PR1 (0.52) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL3425965 0.92 S1PR1 (0.52) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL3425956 0.92 S1PR1 (0.52) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL3425018 0.88 S1PR1 (0.44) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL28761544 0.82 CYP1A2 (0.42) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL292866 0.78 S1PR1 (0.54) S1PR1S1PR3S1PR5S1PR4CHRNB2

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 10 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
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
CN-101808987-A Dibasic Phenylpyrrolidine as cortex catecholamine energy neurotransmission conditioning agent NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-08-18 CN 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
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.