SCHEMBL3386544

SCHEMBL3386544

Fc1ccc(C2CCNCC2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.52
SLC6A4 P31645 11/20 0.52
SLC6A3 Q01959 10/20 0.52
HTR1A P08908 6/20 0.52
OPRL1 P41146 4/20 0.52
KCNH2 Q12809 1/20 0.47
HTR6 P50406 3/20 0.46
MAPK14 Q16539 1/20 0.45

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
Hydrochloric Acid SCHEMBL4883036 0.98 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3HTR1AOPRL1
SCHEMBL1824590 0.90 CHRNB2 (0.49) SLC6A2SLC6A4SLC6A3HTR1AOPRL1
SCHEMBL4974123 0.88 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3HTR1AOPRL1
Trifluoroacetic Acid SCHEMBL5671633 0.87 OPRL1 (0.49) SLC6A2SLC6A4SLC6A3HTR1AOPRL1
SCHEMBL17514569 0.87 OPRL1 (0.55) SLC6A4OPRL1
SCHEMBL17229876 0.86 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3HTR1AOPRL1
Hydrochloric Acid SCHEMBL29915700 0.84 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR1AOPRL1
Hydrochloric Acid SCHEMBL17223035 0.84 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR1AOPRL1
SCHEMBL4689150 0.83 OPRL1 (0.49) SLC6A4OPRL1
SCHEMBL20315440 0.83 OPRL1 (0.49) SLC6A4OPRL1

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-1963268-B1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-01 EP claimed
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-10-30 US claimed
EP-1963268-B1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-01 EP disclosed
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-10-30 US disclosed
EP-1963268-A1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION Neurosearch Sweden AB (SE) 2008-09-03 EP disclosed
WO-2007065655-A1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NEUROSEARCH SWEDEN AB (SE) 2007-06-14 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 (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-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission SLC6A2, SLC18A2, PNMT SLC6A2 1/4885SLC6A4 15/4885SLC6A3 4/4885

“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.