SCHEMBL4978282

SCHEMBL4978282

O=C(O)CCN1CCC2(CCc3ccccc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.67
SLC18A3 Q16572 1/20 0.62
ALDH1A1 P00352 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
OPRL1 P41146 8/20 0.61
OPRK1 P41145 2/20 0.57

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
SCHEMBL4978278 1.00 SIGMAR1 (0.67) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
Hydrochloric Acid SCHEMBL6395819 0.99 SIGMAR1 (0.67) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
Hydrochloric Acid SCHEMBL6395234 0.86 SIGMAR1 (0.62) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
SCHEMBL4056588 0.86 SIGMAR1 (0.65) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
SCHEMBL6340799 0.82 SIGMAR1 (0.62) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
SCHEMBL8013750 0.82 SIGMAR1 (0.83) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
SCHEMBL4977716 0.81 SIGMAR1 (0.57) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
SCHEMBL4977710 0.81 SIGMAR1 (0.57) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
SCHEMBL6398541 0.81 TSHR (0.59) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
SCHEMBL6396038 0.81 SIGMAR1 (0.54) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-6869960-B2 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor PFIZER INC. (US) 2005-03-22 US disclosed
EP-1470126-A1 N-SUBSTITUTED SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER INC. (US) 2004-10-27 EP disclosed
US-20030158219-A1 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor ITO FUMITAKA (JP) 2003-08-21 US disclosed
WO-2003064425-A1 N-SUBSTITUTED SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER JAPAN INC. (JP) 2003-08-07 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 (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-20030158219-A1 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor OGFRL1, OXER1, ORMDL3 SIGMAR1 13/4885SLC18A3 2247/4885ALDH1A1 306/4885
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 SIGMAR1 10/4885SLC18A3 3734/4885ALDH1A1 153/4885
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 SIGMAR1 26/4885SLC18A3 2071/4885ALDH1A1 365/4885

“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.