SCHEMBL3119906

SCHEMBL3119906

CN1CCC(F)(c2ccc(F)cc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.38
CNR1 P21554 5/20 0.37
MC4R P32245 1/20 0.35
OPRM1 P35372 2/20 0.34
DRD4 P21917 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
KCNH2 Q12809 2/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
AKR1B1 P15121 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
SCHEMBL3117618 0.84 P2RX7 (0.36) OPRM1DRD4ALDH1A1L3MBTL1MAPK1
SCHEMBL3115996 0.84 SLC6A3 (0.37) OPRM1DRD4ALDH1A1
SCHEMBL3122160 0.81 CNR1 (0.40) BACE1CNR1KCNH2DRD2HTR2A
SCHEMBL3117016 0.79 MAPK1 (0.39) BACE1CNR1OPRM1MAPK1DRD2
SCHEMBL10653193 0.77 BACE1 (0.42) BACE1CNR1ALDH1A1
SCHEMBL4245293 0.77 BACE1 (0.42) BACE1CNR1ALDH1A1
SCHEMBL16838121 0.75 MAPK1 (0.43) BACE1CNR1OPRM1DRD4ALDH1A1
SCHEMBL3123058 0.74 HDAC4 (0.38) MC4ROPRM1DRD4MAPK1CYP2C9
SCHEMBL3024452 0.74 CYP2C9 (0.39) BACE1CNR1ALDH1A1L3MBTL1BACE2
SCHEMBL3116585 0.73 SLC6A3 (0.47) OPRM1ALDH1A1DRD2

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 BACE1 1438/4885CNR1 74/4885MC4R 448/4885

“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.