SCHEMBL3126014

SCHEMBL3126014

CC(C)CN1CCC(O)(c2cccc(Cl)c2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.48
DRD3 P35462 6/20 0.48
DRD4 P21917 2/20 0.48
CCR1 P32246 1/20 0.38
P2RX7 Q99572 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
OPRL1 P41146 3/20 0.38
CYP2D6 P10635 4/20 0.37
CYP3A4 P08684 3/20 0.36
USP2 O75604 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3860337 0.92 DRD2 (0.53) DRD2DRD3DRD4P2RX7OPRM1
SCHEMBL3117532 0.87 DRD2 (0.40) DRD2DRD3DRD4OPRM1OPRD1
SCHEMBL3116467 0.87 DRD2 (0.40) DRD2DRD3DRD4OPRM1OPRD1
SCHEMBL3111174 0.85 DRD2 (0.51) DRD2DRD3DRD4CCR1OPRM1
SCHEMBL3120693 0.83 DRD2 (0.50) DRD2DRD3DRD4CCR1OPRM1
SCHEMBL3124228 0.81 DRD2 (0.54) DRD2DRD3DRD4CCR1
SCHEMBL3120562 0.80 DRD2 (0.47) DRD2DRD3DRD4CCR1P2RX7
SCHEMBL3852297 0.79 DRD2 (0.56) DRD2DRD3DRD4CCR1OPRM1
SCHEMBL3119638 0.79 DRD2 (0.48) DRD2DRD3DRD4CCR1OPRM1
SCHEMBL3124241 0.79 DRD2 (0.47) DRD2CCR1OPRM1OPRL1

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
EP-2155671-B1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2017-12-20 EP 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

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-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, DBH, SLC6A2 DRD2 9/4885DRD3 24/4885DRD4 28/4885

“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.