SCHEMBL4980469

SCHEMBL4980469

C=C(Cc1ccccn1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 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
SCHEMBL8567705 0.84 SMN1; SMN2 (0.47) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL7860739 0.84 CTDSP1 (0.66) CTDSP1ALDH1A1KDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL11265540 0.83 CTDSP1 (0.64) CTDSP1ALDH1A1KDM4EMAPTLMNA
SCHEMBL4495564 0.83 RAB9A (0.50) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL9284113 0.82 CYP3A4 (0.44) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL22747356 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL134991 0.81 LMNA (0.56) ALDH1A1KDM4ELMNARAB9ANPC1
SCHEMBL30858931 0.81 LMNA (0.56) ALDH1A1KDM4ELMNARAB9ANPC1
SCHEMBL20543700 0.79 GAA (0.46) CTDSP1ALDH1A1KDM4ELMNARAB9A
SCHEMBL20543701 0.79 GAA (0.46) CTDSP1ALDH1A1KDM4ELMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4032487-A AQUEOUS ACRYLATE-EPOXY SILANE CROSSLINKER ADHESIVE DISPERSION COMPOSITION BORDEN, INC. (US) 1977-06-28 US claimed
US-7354925-B2 Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER INC. (US) 2008-04-08 US disclosed
US-7279486-B2 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER INC. (US) 2007-10-09 US disclosed
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain PFIZER, INC. 2007-08-23 US disclosed
EP-1732928-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-12-20 EP disclosed
EP-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 2006-12-20 EP disclosed
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER JAPAN INC. (JP) 2005-12-15 US disclosed
WO-2005092895-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2005-10-06 WO disclosed
WO-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST PFIZER JAPAN INC. (JP) 2005-10-06 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-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 CTDSP1 3150/4885ALDH1A1 153/4885KDM4E 3323/4885
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain OPRL1, OPRD1, OPRK1 CTDSP1 2736/4885ALDH1A1 365/4885KDM4E 2601/4885

“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.