SCHEMBL3014454

SCHEMBL3014454

ON1CCC(c2cc(F)cc(F)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 1/20 0.36
NPY5R Q15761 5/20 0.35
SCD5 Q86SK9 2/20 0.33
GRM2 Q14416 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL1822751 0.88 TRPM5 (0.36) RAB9ANPC1SMN1; SMN2ATMNPY5R
SCHEMBL3633708 0.78 NPC1 (0.39) RAB9ANPC1SMN1; SMN2ATMNPY5R
SCHEMBL1822725 0.77 NOTUM (0.38) RAB9ANPC1SMN1; SMN2GRM2MAPT
SCHEMBL1823938 0.77 SLC6A2 (0.41) RAB9ANPC1SMN1; SMN2ATMDRD2
SCHEMBL1823936 0.77 USP30 (0.42) SCD5
SCHEMBL19995557 0.74 RAB9A (0.52) RAB9ANPC1SMN1; SMN2ATMNPY5R
SCHEMBL19995535 0.74 RAB9A (0.52) RAB9ANPC1SMN1; SMN2ATMNPY5R
SCHEMBL19995521 0.74 RAB9A (0.52) RAB9ANPC1SMN1; SMN2ATMNPY5R
SCHEMBL1820929 0.73 SLC6A2 (0.42) MAPT
SCHEMBL1822924 0.73 SLC6A2 (0.44)

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-20100197760-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-08-05 US disclosed
EP-2155669-A1 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-02-24 EP disclosed
WO-2008148799-A1 NEW 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-20100197760-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION SLC6A2, SLC6A3, SLC18A2 RAB9A 1288/4885NPC1 1701/4885SMN1; SMN2 1307/4885

“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.