SCHEMBL6396337

SCHEMBL6396337

OCCCN1CCC2(CCc3ccccc32)CC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.74
EBP Q15125 1/20 0.63
SLC18A3 Q16572 1/20 0.61
ALDH1A1 P00352 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
OPRL1 P41146 3/20 0.58
OPRK1 P41145 1/20 0.58

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
SCHEMBL8013750 0.91 SIGMAR1 (0.83) SIGMAR1EBPSLC18A3ALDH1A1TP53
SCHEMBL14298470 0.85 SIGMAR1 (0.74) SIGMAR1EBPSLC18A3ALDH1A1TP53
SCHEMBL7381325 0.85 SIGMAR1 (1.00) SIGMAR1EBPSLC18A3ALDH1A1TP53
SCHEMBL6396099 0.85 SIGMAR1 (0.74) SIGMAR1EBPSLC18A3ALDH1A1TP53
SCHEMBL13963562 0.83 SIGMAR1 (0.76) SIGMAR1EBPSLC18A3ALDH1A1TP53
SCHEMBL7382266 0.83 SIGMAR1 (1.00) SIGMAR1EBPSLC18A3ALDH1A1TP53
SCHEMBL8557477 0.82 SIGMAR1 (0.84) SIGMAR1EBPTP53CYP1A2CYP3A4
SCHEMBL12120510 0.82 SIGMAR1 (0.69) SIGMAR1EBPALDH1A1TP53CYP1A2
SCHEMBL6396812 0.82 SIGMAR1 (0.58) SIGMAR1EBPSLC18A3OPRL1OPRK1
Hydrochloric Acid SCHEMBL7382940 0.82 SIGMAR1 (1.00) SIGMAR1EBPSLC18A3ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038060-A1 Spiropoperidine compounds as ligands for orl-1 receptor ANDO KOJI (JP) 2005-02-17 US disclosed
EP-1399432-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER INC. (US) 2004-03-24 EP disclosed
US-20030078279-A1 Spiropiperidine compounds as ligands for ORL-1receptor PFIZER INC. 2003-04-24 US disclosed
US-20030078278-A1 Spiropiperidine compounds as ligands for ORL-1 receptor PFIZER INC. 2003-04-24 US disclosed
WO-2003000677-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER PHARMACEUTICALS INC. (JP) 2003-01-03 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-20030078278-A1 Spiropiperidine compounds as ligands for ORL-1 receptor OPRL1, OPRD1, OXER1 SIGMAR1 9/4885EBP 1902/4885SLC18A3 3333/4885
US-20030078279-A1 Spiropiperidine compounds as ligands for ORL-1receptor OPRL1, OPRD1, OXER1 SIGMAR1 13/4885EBP 1462/4885SLC18A3 3251/4885
US-20050038060-A1 Spiropoperidine compounds as ligands for orl-1 receptor OPRL1, OXER1, OGFRL1 SIGMAR1 11/4885EBP 2742/4885SLC18A3 3518/4885

“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.