SCHEMBL7015691

SCHEMBL7015691

N#CC1(Nc2ccccc2)CCN(C2Cc3cccc4cccc2c34)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 0.49
OPRM1 P35372 17/20 0.49
OPRK1 P41145 14/20 0.49
OPRD1 P41143 6/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL7889657 1.00 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7885705 1.00 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7885443 0.90 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7883371 0.90 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7014225 0.90 SMN1; SMN2 (0.43) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7885754 0.90 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7887890 0.88 OPRL1 (0.51) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7878605 0.88 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7886394 0.88 OPRL1 (0.51) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL7885289 0.87 OPRL1 (0.54) 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 14 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
CN-1110497-C Di- Or triaza-spiral [4,5] decane derivative HOFFMANN LA ROCHE (CH) 2003-06-04 CN disclosed
CN-1107066-C Diaza-spiro [3,5] nonane derivatives HOFFMANN LA ROCHE (CH) 2003-04-30 CN disclosed
EP-0963985-B1 Di-or triaza-spiro(4,5)decane derivatives HOFFMANN LA ROCHE (CH) 2003-03-12 EP disclosed
EP-0970957-B1 Diaza-spiro[3,5] nonane derivatives HOFFMANN LA ROCHE (CH) 2001-08-16 EP disclosed
EP-0856514-B1 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2001-06-13 EP disclosed
US-6113527-A 3,3-BIS-HYDROXYMETHYL-7-(CIS-4-ISOPROPYL-CYCLOHEXYL)-1-PHENYL -1,7-DIAZA-SPIRO-(3.5)NONANE-2-ONE, FOR EXAMPLE; AGONISTS OF THE ORPHANIN FQ (OFQ) RECEPTOR; USEFUL IN THE TREATMENT OF PSYCHIATRIC, NEUROLOGICAL AND PHYSIOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
US-6071925-A ANTIDEPRESSANTS, ANTICONVULSANTS OR ANTIANXIETY AGENTS, ALSO FOR TREATMENT OF MEMORY LOSS IN ALZHEIMER'S DISEASE HOFFMANN-LA ROCHE INC. (US) 2000-06-06 US disclosed
CN-1244528-A Di- Or triaza-spiral [4,5] decane derivative HOFFMANN LA ROCHE (CH) 2000-02-16 CN disclosed
CN-1242366-A Diaza-spiro [3,5] nonane derivatives HOFFMANN LA ROCHE (CH) 2000-01-26 CN disclosed
EP-0970957-A1 Diaza-spiro[3,5] nonane derivatives F. HOFFMANN-LA ROCHE AG (CH) 2000-01-12 EP disclosed
EP-0963985-A2 Di-or triaza-spiro(4,5)decane derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-12-15 EP disclosed
EP-0856514-A1 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-08-05 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.