SCHEMBL7007725

SCHEMBL7007725

c1ccc(CN2CCC3(CCCN3c3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.53
OPRM1 P35372 2/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
CYP3A4 P08684 3/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 6/20 0.52
DRD4 P21917 1/20 0.51
TSHR P16473 3/20 0.49
CYP2C19 P33261 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2C9 P11712 2/20 0.49
HIF1A Q16665 1/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL17767904 0.95 OPRL1 (0.52) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL17777824 0.83 DRD2 (0.59) OPRL1OPRM1CYP3A4HSD17B10SIGMAR1
SCHEMBL17777789 0.81 SIGMAR1 (0.59) OPRK1SIGMAR1DRD4TSHRALDH1A1
SCHEMBL17777787 0.81 SLC6A3 (0.58) OPRM1SIGMAR1DRD2
SCHEMBL17777791 0.81 OPRL1 (0.50) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL4516567 0.76 CYP2D6 (0.52) OPRL1CYP3A4HSD17B10SIGMAR1TSHR
SCHEMBL17767881 0.76 SIGMAR1 (0.49) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL7010936 0.73 CYP2D6 (0.53) OPRM1CYP3A4HSD17B10SIGMAR1TSHR
SCHEMBL7886451 0.73 SIGMAR1 (0.52) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL15236204 0.72 ALDH1A1 (0.77) OPRL1OPRM1CYP3A4HSD17B10SIGMAR1

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 152/4885OPRD1 103/4885

“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.