SCHEMBL1824314

SCHEMBL1824314

Fc1cccc(C2CCNC2)c1F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
HTR1A P08908 4/20 0.48
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 4/20 0.48
SLC6A3 Q01959 2/20 0.48
CHRNA7 P36544 1/20 0.44

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
SCHEMBL3765929 0.89 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL12812338 0.88 CHRNB2 (0.45) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4893603 0.87 HTR1A (0.56) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL19995543 0.87 HTR3A (0.46) CHRNB2CHRNA4HTR1ASLC6A2SLC6A4
SCHEMBL3333986 0.85 HTR1A (0.50) CHRNB2CHRNA4HTR1ASLC6A2SLC6A4
SCHEMBL27880809 0.85 HTR1A (0.50) CHRNB2CHRNA4HTR1ASLC6A2SLC6A4
SCHEMBL29698867 0.85 HTR1A (0.50) CHRNB2CHRNA4HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3932246 0.84 HTR1A (0.49) CHRNB2CHRNA4HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL30467185 0.84 HTR1A (0.49) CHRNB2CHRNA4HTR1ASLC6A2SLC6A4
SCHEMBL14938105 0.83 HTR2C (0.56)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155669-B1 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2011-05-04 EP disclosed
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 CHRNB2 33/4885CHRNA4 18/4885HTR1A 82/4885

“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.