SCHEMBL4969638

SCHEMBL4969638

CN1CCC(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ AGTR1 P30556 1/20 0.46
▸ DRD4 P21917 2/20 0.46
▸ LSS P48449 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR1F P30939 1/20 0.44
▸ MAPK11 Q15759 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42

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
SCHEMBL4976022 0.91 OPRL1 (0.47) OPRL1DRD2MEN1KMT2AGRM5
SCHEMBL1824248 0.90 MEN1 (0.46) GAATSHRAGTR1MEN1KMT2A
SCHEMBL14924437 0.84 SLC6A2 (0.42) DRD4LSSDRD2HTR1DMAPK11
SCHEMBL4874534 0.83 QDPR (0.39) OPRL1DRD4LSSPOLBHTR1D
SCHEMBL4972924 0.83 OPRL1 (0.51) OPRL1DRD2KMT2AGRM5HTR1F
SCHEMBL4969208 0.83 OPRL1 (0.64) OPRL1DRD4LSSPOLBDRD2
SCHEMBL12073521 0.83 HTR1D (0.55) OPRL1GAATSHRPOLBDRD2
SCHEMBL433540 0.82 GAA (0.52) GAATSHRAGTR1
SCHEMBL22062939 0.80 MEN1 (0.51) OPRL1DRD4DRD2MEN1KMT2A
SCHEMBL14924095 0.80 HTR2A (0.43) OPRL1DRD4DRD2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 OPRL1 30/4885GAA 2142/4885TSHR 635/4885

“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.

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