SCHEMBL3119720

SCHEMBL3119720

CC(C)(C)OC(=O)N1CCC(O)(c2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 5/20 0.42
USP30 Q70CQ3 1/20 0.41
SCD5 Q86SK9 1/20 0.40
POLB P06746 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP11B2 P19099 1/20 0.39
ACACB O00763 2/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL30005896 0.92 STS (0.49) STSMEN1KMT2ADRD2POLB
SCHEMBL2425082 0.92 RORC (0.41) STSMEN1KMT2ADRD2USP30
SCHEMBL15804316 0.87 MEN1 (0.49) STSMEN1KMT2ADRD2POLB
SCHEMBL21143945 0.87 CYP11B2 (0.43) MEN1KMT2ADRD2USP30SCD5
SCHEMBL655150 0.87 DRD2 (0.56) STSMEN1KMT2ADRD2
SCHEMBL2427136 0.84 RORC (0.44) USP30SCD5CYP11B2ACACBRORC
SCHEMBL3118407 0.84 CCR5 (0.47) MEN1KMT2ADRD2USP30SCD5
SCHEMBL3385458 0.84 MEN1 (0.43) STSMEN1KMT2ADRD2POLB
SCHEMBL2425248 0.83 RORC (0.44) MEN1KMT2ADRD2USP30RORC
SCHEMBL3470333 0.82 DRD2 (0.51) STSMEN1KMT2ADRD2RORC

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 5 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
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 (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 STS 2257/4885MEN1 2078/4885KMT2A 2547/4885

“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.