SCHEMBL6397606

SCHEMBL6397606

O=C(C1Cc2ccccc2N1C(=O)CCN1CCC2(CCc3ccccc32)CC1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.47
OPRM1 P35372 8/20 0.47
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46
SIGMAR1 Q99720 5/20 0.44
SLC18A3 Q16572 1/20 0.44
TP53 P04637 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
SCHEMBL6397610 1.00 OPRL1 (0.47) OPRL1OPRM1HTR1AHTR7SIGMAR1
Hydrochloric Acid SCHEMBL6396517 0.99 OPRL1 (0.46) OPRL1OPRM1HTR1AHTR7SIGMAR1
Citric Acid SCHEMBL7069932 0.92 OPRL1 (0.42) OPRL1OPRM1HTR1AHTR7SIGMAR1
Citric Acid SCHEMBL6396207 0.92 OPRL1 (0.42) OPRL1OPRM1HTR1AHTR7SIGMAR1
SCHEMBL6395194 0.86 OPRL1 (0.54) OPRL1OPRM1SIGMAR1SLC18A3
SCHEMBL6394179 0.86 OPRL1 (0.54) OPRL1OPRM1SIGMAR1SLC18A3
SCHEMBL6396088 0.85 OPRL1 (0.50) OPRL1OPRM1SIGMAR1SLC18A3
SCHEMBL6394941 0.85 OPRL1 (0.50) OPRL1OPRM1SIGMAR1SLC18A3
Hydrochloric Acid SCHEMBL7070297 0.85 OPRL1 (0.53) OPRL1OPRM1SIGMAR1SLC18A3
SCHEMBL6395355 0.85 OPRL1 (0.50) OPRL1OPRM1SIGMAR1SLC18A3

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-20050038060-A1 Spiropoperidine compounds as ligands for orl-1 receptor ANDO KOJI (JP) 2005-02-17 US claimed
US-20030078279-A1 Spiropiperidine compounds as ligands for ORL-1receptor PFIZER INC. 2003-04-24 US claimed
US-20030078278-A1 Spiropiperidine compounds as ligands for ORL-1 receptor PFIZER INC. 2003-04-24 US claimed
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-20030078278-A1 Spiropiperidine compounds as ligands for ORL-1 receptor PFIZER INC. 2003-04-24 US disclosed
US-20030078279-A1 Spiropiperidine compounds as ligands for ORL-1receptor 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 OPRL1 1/4885OPRM1 10/4885HTR1A 444/4885
US-20030078279-A1 Spiropiperidine compounds as ligands for ORL-1receptor OPRL1, OPRD1, OXER1 OPRL1 1/4885OPRM1 11/4885HTR1A 412/4885
US-20050038060-A1 Spiropoperidine compounds as ligands for orl-1 receptor OPRL1, OXER1, OGFRL1 OPRL1 1/4885OPRM1 14/4885HTR1A 814/4885

“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.