SCHEMBL2883041

SCHEMBL2883041

CN1C2C=C(c3ccc(F)cc3Cl)CC1CC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.52
SLC6A4 P31645 5/20 0.52
SLC6A3 Q01959 5/20 0.52
HTR6 P50406 1/20 0.46
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HSD11B1 P28845 1/20 0.38
MAPK14 Q16539 1/20 0.37
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36

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
SCHEMBL2883039 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3HTR6HTR1A
SCHEMBL1020818 0.80 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3HTR6HTR1A
SCHEMBL1020817 0.80 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3HTR6HTR1A
Hydrochloric Acid SCHEMBL1023640 0.79 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3HTR6HTR1A
SCHEMBL1335541 0.77 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL2880793 0.77 WDR5 (0.42) HSD11B1CCNT1CDK9
SCHEMBL2880799 0.77 WDR5 (0.42) HSD11B1CCNT1CDK9
SCHEMBL8106669 0.76 SLC6A4 (0.70) SLC6A2SLC6A4SLC6A3HTR6HTR1A
SCHEMBL8106666 0.76 SLC6A4 (0.70) SLC6A2SLC6A4SLC6A3HTR6HTR1A
SCHEMBL5830039 0.76 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR6HTR1A

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-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 SLC6A2 150/4885SLC6A4 241/4885SLC6A3 58/4885

“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.