SCHEMBL2884945

SCHEMBL2884945

Cc1ccccc1C1CCN(Cc2ccccc2)CC1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.53
POLB P06746 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 2/20 0.47
S1PR5 Q9H228 4/20 0.46
LTA4H P09960 1/20 0.45
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
ACHE P22303 1/20 0.44
S1PR1 P21453 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 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
SCHEMBL1897605 0.88 S1PR5 (0.49) SCN4APOLBALDH1A1S1PR5S1PR1
SCHEMBL13041176 0.88 S1PR5 (0.49) SCN4APOLBALDH1A1S1PR5S1PR1
SCHEMBL12975924 0.84 FUCA1 (0.53) SCN4APOLBSIGMAR1ALDH1A1ACHE
Hydrochloric Acid SCHEMBL2883130 0.83 SIGMAR1 (0.54) SCN4APOLBSIGMAR1ALDH1A1ACHE
SCHEMBL28887854 0.82 BCHE (0.51) SCN4APOLBLTA4HACHE
SCHEMBL2878305 0.81 SCN4A (0.52) SCN4APOLBSIGMAR1ACHE
SCHEMBL2878300 0.81 SCN4A (0.52) SCN4APOLBSIGMAR1ACHE
SCHEMBL2880558 0.81 OPRL1 (0.51) SCN4APOLBSIGMAR1ALDH1A1ACHE
SCHEMBL2877591 0.80 SLC6A2 (0.52) SIGMAR1
SCHEMBL22863935 0.79 LTA4H (0.65) SCN4ASIGMAR1ALDH1A1S1PR5LTA4H

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 SCN4A 366/4885POLB 3327/4885SIGMAR1 75/4885

“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.