SCHEMBL4886864

SCHEMBL4886864

CCOC(=O)N1C2CCC1CC1(C2)OCCc2cc(F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.43
CHRM1 P11229 4/20 0.40
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNA7 P36544 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPY5R Q15761 1/20 0.35
AKR1B1 P15121 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
SRD5A1 P18405 1/20 0.34

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
SCHEMBL4668421 0.85 GRM5 (0.46) GRM5CHRM1
SCHEMBL4900008 0.84 GRM5 (0.45) GRM5CHRM1MEN1MAPK1HTT
SCHEMBL4975875 0.80 L3MBTL1 (0.46) GRM5MEN1HTTKMT2AALDH1A1
SCHEMBL4668777 0.78 OPRL1 (0.40) HTTCHRNA7POLB
SCHEMBL4697311 0.77 OPRL1 (0.46)
SCHEMBL4668729 0.74 GRM5 (0.46) GRM5CHRM1MEN1MAPK1HTT
SCHEMBL4669598 0.73 GRM5 (0.45) GRM5CHRM1MEN1MAPK1HTT
SCHEMBL4789409 0.72 OPRL1 (0.35) CHRNA7
SCHEMBL4981388 0.72 L3MBTL1 (0.47) GRM5MEN1HTTKMT2AALDH1A1
SCHEMBL4669629 0.70 KMT2A (0.35) MEN1KMT2ASRD5A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1896479-A1 ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA-PIPERIDINOPROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2008-03-12 EP disclosed
WO-2006134485-A1 ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA-PIPERIDINOPROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-21 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 (2 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 GRM5 267/4885CHRM1 49/4885MEN1 3252/4885
US-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists OPRL1, OGFRL1, OPRD1 GRM5 219/4885CHRM1 195/4885MEN1 3281/4885

“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.