SCHEMBL6409737

SCHEMBL6409737

CN1CCN(C2CCCc3ccc(N4CCc5cc(N6CCOCC6)ccc5C4=O)cc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
CTSS P25774 1/20 0.39
MTNR1B P49286 2/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
BTK Q06187 1/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PSMD14 O00487 1/20 0.34
CYP3A4 P08684 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL6405006 0.78 CTSS (0.48) OPRM1OPRD1CTSSMTNR1BOPRK1
SCHEMBL6403876 0.72 ADRA1D (0.46) CNR1CNR2MTNR1B
SCHEMBL6408539 0.70 CNR1 (0.52) CNR1CNR2MTNR1BHCRTR1CYP3A4
SCHEMBL6408461 0.69 NAPEPLD (0.38) CNR1CNR2OPRM1OPRD1MTNR1B
SCHEMBL6406808 0.68 CNR2 (0.51) CNR1CNR2
SCHEMBL6406991 0.68 MTNR1B (0.47) CNR1CNR2MTNR1B
SCHEMBL24736978 0.67 GRM5 (0.47) OPRD1PSMD14TMEM97SIGMAR1MEN1
SCHEMBL1239428 0.67 SIGMAR1 (0.44) OPRM1OPRD1CTSSTMEM97SIGMAR1
SCHEMBL25796181 0.67 PRKDC (0.38) BTKPSMD14KIF11
SCHEMBL1240432 0.66 MAPK14 (0.53) PSMD14TMEM97SIGMAR1MEN1ALDH1A1

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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US claimed
US-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US disclosed
WO-2005113527-A1 TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS PFIZER PRODUCTS INC. (US) 2005-12-01 WO disclosed
WO-2005076861-A2 COMPOUNDS THAT INHIBIT HIV PARTICLE FORMATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-08-25 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 (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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists HTR1A, HTR1B, HTR1D CNR1 48/4885CNR2 66/4885OPRM1 32/4885

“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.