SCHEMBL3107366

SCHEMBL3107366

OC1(c2cccc(F)c2F)CCN(CCC(F)(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
OPRM1 P35372 7/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
OPRL1 P41146 7/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 2/20 0.36
KCNA3 P22001 1/20 0.35
HDAC4 P56524 1/20 0.35
GAA P10253 1/20 0.34
CCR1 P32246 1/20 0.33

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
SCHEMBL3109367 0.84 DRD2 (0.42) DRD2OPRM1USP2ALDH1A1HPGD
SCHEMBL3118533 0.82 DRD2 (0.43) DRD2OPRM1USP2ALDH1A1HPGD
SCHEMBL3115698 0.81 DRD2 (0.39) DRD2OPRM1USP2ALDH1A1HPGD
SCHEMBL3109607 0.81 DRD2 (0.38) DRD2OPRM1USP2ALDH1A1HPGD
SCHEMBL3853965 0.80 OPRM1 (0.43) DRD2OPRM1OPRL1OPRD1OPRK1
SCHEMBL3113243 0.78 SIGMAR1 (0.40) DRD2OPRM1USP2ALDH1A1HPGD
SCHEMBL3119581 0.78 OPRM1 (0.45) DRD2OPRM1OPRL1OPRD1OPRK1
SCHEMBL3109230 0.78 CYP2D6 (0.41) DRD2OPRM1USP2ALDH1A1HPGD
SCHEMBL3111159 0.78 OPRL1 (0.54) USP2ALDH1A1HPGDOPRL1GAA
SCHEMBL3111280 0.76 OPRM1 (0.41) DRD2OPRM1OPRL1OPRD1OPRK1

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-2155671-B1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2017-12-20 EP claimed
US-8188301-B2 Disubstituted phenylpyrrolidines as modulators of cortical catecholaminergic neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-05-29 US claimed
US-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 US claimed
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 9/4885OPRM1 364/4885USP2 3531/4885

“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.