SCHEMBL1823960

SCHEMBL1823960

Fc1cc(C2CCNC2)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.59
SLC6A4 P31645 6/20 0.59
CYP2D6 P10635 5/20 0.59
SLC6A3 Q01959 5/20 0.59
KCNH2 Q12809 5/20 0.59
HTR3A P46098 2/20 0.59
HTR1A P08908 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2A P28223 1/20 0.52
HTR1E P28566 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.52
HTR5A P47898 1/20 0.52
HTR6 P50406 1/20 0.52
PDE4B Q07343 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL31342377 0.90 QDPR (0.51) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2
SCHEMBL3383243 0.90 QDPR (0.51) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2
Hydrochloric Acid SCHEMBL4778776 0.88 QDPR (0.50) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2
SCHEMBL1825489 0.87 HTR3A (0.64) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2
SCHEMBL13093036 0.84 SLC6A2 (0.81) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2
SCHEMBL16660426 0.84 HTR3A (0.59) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2
SCHEMBL1823096 0.84 SLC6A2 (0.81) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2
SCHEMBL724585 0.84 HTR3A (0.59) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2
Hydrochloric Acid SCHEMBL27410631 0.83 SLC6A2 (0.78) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2
SCHEMBL15516731 0.80 SLC6A3 (0.46) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2

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-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
CN-101711234-A New disubstituted phenylpyrrolidines as modulators of cortical catecholaminergic neurotransmission NSAB OF NEUROSEARCH SWEDEN AB 2010-05-19 CN 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 SLC6A2 1/4885SLC6A4 12/4885CYP2D6 655/4885

“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.