SCHEMBL2880558

SCHEMBL2880558

Cc1ccccc1C1CCN(Cc2ccccc2)CC1CO

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.51
KCNH2 Q12809 1/20 0.51
SIGMAR1 Q99720 2/20 0.49
GBA1 P04062 1/20 0.49
SCN4A P35499 2/20 0.48
ACHE P22303 3/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
BCHE P06276 2/20 0.43
BACE1 P56817 2/20 0.43
CCR5 P51681 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL2883135 0.87 HTR2A (0.50) SIGMAR1SCN4AACHEALDH1A1POLB
SCHEMBL2883137 0.87 HTR2A (0.50) SIGMAR1SCN4AACHEALDH1A1POLB
SCHEMBL12975924 0.85 FUCA1 (0.53) OPRL1KCNH2SIGMAR1SCN4AACHE
SCHEMBL2882388 0.85 SIGMAR1 (0.47) SIGMAR1SCN4AACHEBCHEBACE1
SCHEMBL2878300 0.84 SCN4A (0.52) SIGMAR1SCN4AACHEPOLBBCHE
SCHEMBL2878305 0.84 SCN4A (0.52) SIGMAR1SCN4AACHEPOLBBCHE
Hydrochloric Acid SCHEMBL2883130 0.84 SIGMAR1 (0.54) OPRL1KCNH2SIGMAR1SCN4AACHE
SCHEMBL7468123 0.82 CCR5 (0.58) SIGMAR1GBA1ACHEALDH1A1BCHE
SCHEMBL7468128 0.82 CCR5 (0.58) SIGMAR1GBA1ACHEALDH1A1BCHE
SCHEMBL7468131 0.82 CCR5 (0.58) SIGMAR1GBA1ACHEALDH1A1BCHE

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 OPRL1 1/4885KCNH2 969/4885SIGMAR1 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.