SCHEMBL7007700

SCHEMBL7007700

N#CC1(Nc2ccccc2)CCN(C2CCC3CCCc4cccc2c43)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.54
OPRM1 P35372 14/20 0.54
OPRK1 P41145 13/20 0.54
OPRD1 P41143 6/20 0.54
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CHRNA7 P36544 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL7878565 0.86 CHRNA7 (0.49) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7878435 0.86 CHRNA7 (0.49) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7886366 0.82 SMN1; SMN2 (0.48) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7886369 0.82 SMN1; SMN2 (0.48) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7887827 0.82 SMN1; SMN2 (0.48) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7014225 0.78 SMN1; SMN2 (0.43) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7016091 0.76 OPRL1 (0.51) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7889657 0.75 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7885705 0.75 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7015691 0.75 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2

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 4 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-0963985-A2 Di-or triaza-spiro(4,5)decane derivatives 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.