SCHEMBL7007364

SCHEMBL7007364

O=C1CCN(C2CCC3CCCc4cccc2c43)CC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.65
OPRM1 P35372 9/20 0.65
OPRK1 P41145 8/20 0.65
OPRD1 P41143 1/20 0.58
CHRNA7 P36544 1/20 0.46
HTR3B O95264 1/20 0.39
ADRA2A P08913 1/20 0.39
KCNE1 P15382 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
KCNQ1 P51787 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL3595393 0.89 OPRL1 (0.53) OPRL1OPRM1OPRK1OPRD1CHRNA7
SCHEMBL3591843 0.80 CHRNA7 (0.71) OPRL1OPRM1OPRK1OPRD1CHRNA7
SCHEMBL3591840 0.80 CHRNA7 (0.71) OPRL1OPRM1OPRK1OPRD1CHRNA7
SCHEMBL7534947 0.80 CHRNA7 (0.71) OPRL1OPRM1OPRK1OPRD1CHRNA7
SCHEMBL25735842 0.79 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1
SCHEMBL15796757 0.79 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1
SCHEMBL29663606 0.79 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1
SCHEMBL7887839 0.78 OPRL1 (0.65) OPRL1OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL7886448 0.77 OPRL1 (0.64) OPRL1OPRM1OPRK1OPRD1
SCHEMBL7007732 0.76 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642247-B2 Treting anxiety, stress, depression, trauma, Alzheimer's mediated memory loss, epilepsy, arterial blood pressure disorders, obesity, acute pain, chronic pain, Na+ excretion, control of water balance, and symptoms associated with drug HOFFMAN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030176701-A1 DI-OR TRIAZA-SPIRO [4,5] DECANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-18 US disclosed
EP-0963985-B1 Di-or triaza-spiro(4,5)decane derivatives HOFFMANN LA ROCHE (CH) 2003-03-12 EP disclosed
EP-0963987-B1 Spiro(piperidine-4,1'-pyrrolo(3,4-c)pyrrole) HOFFMANN LA ROCHE (CH) 2002-08-28 EP disclosed
US-6075034-A Spiro[piperidine-4,1'-pyrrolo [3,4-C] pyrrole]derivatives HOFFMANN-LA ROCHE INC. (US) 2000-06-13 US disclosed
EP-0963985-A2 Di-or triaza-spiro(4,5)decane derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-12-15 EP disclosed
EP-0963987-A2 Spiro(piperidine-4,1'-pyrrolo(3,4-c)pyrrole) F. HOFFMANN-LA ROCHE AG (CH) 1999-12-15 EP 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 (1 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-20030176701-A1 DI-OR TRIAZA-SPIRO [4,5] DECANE DERIVATIVES NPY4R, NPY1R, OXER1 OPRL1 36/4885OPRM1 152/4885OPRK1 106/4885

“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.