SCHEMBL4899718

SCHEMBL4899718

c1ccc2c(c1)COC21CC2CCC(C1)N2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
OPRD1 P41143 1/20 0.36
AVPR1A P37288 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
SCHEMBL4667336 0.84 OPRM1 (0.46) SIGMAR1OPRD1
SCHEMBL4700010 0.80 KMT2A (0.37) SIGMAR1AVPR1A
SCHEMBL9615977 0.74 SIGMAR1 (0.54) SIGMAR1OPRD1AVPR1A
SCHEMBL20290356 0.73 SIGMAR1 (0.43) SIGMAR1OPRD1AVPR1A
SCHEMBL29931113 0.73 SIGMAR1 (0.43) SIGMAR1OPRD1AVPR1A
Hydrochloric Acid SCHEMBL3224573 0.72 SIGMAR1 (0.42) SIGMAR1OPRD1AVPR1A
SCHEMBL3400210 0.71 SIGMAR1 (0.46) SIGMAR1AVPR1A
SCHEMBL13880140 0.71 SIGMAR1 (0.46) SIGMAR1AVPR1A
SCHEMBL20910156 0.71 SIGMAR1 (0.46) SIGMAR1AVPR1A
SCHEMBL13366373 0.71 SIGMAR1 (0.46) SIGMAR1AVPR1A

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 6 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-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists PFIZER INC. 2008-08-28 US disclosed
US-20080200490-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidino Propanamide Compounds as Orl-1-Receptor Antagonists PFIZER INC. 2008-08-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US 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 (3 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-20080200490-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidino Propanamide Compounds as Orl-1-Receptor Antagonists OPRL1, OPRD1, OGFRL1 SIGMAR1 7/4885OPRD1 2/4885AVPR1A 236/4885
US-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 SIGMAR1 75/4885OPRD1 6/4885AVPR1A 7/4885
US-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists OPRL1, OGFRL1, OPRD1 SIGMAR1 9/4885OPRD1 3/4885AVPR1A 464/4885

“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.