SCHEMBL6486349

SCHEMBL6486349

CC(C)N(CCCc1ccccc1)[C@H]1CC[C@H](c2ccc(O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ESR2 Q92731 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
SLC18A3 Q16572 1/20 0.40

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
SCHEMBL6485638 1.00 SPHK1 (0.43) SPHK1OPRM1OPRD1OPRK1KDM4E
SCHEMBL7023319 0.85 KDM4E (0.52) SPHK1KDM4ESLC18A3
SCHEMBL5689661 0.85 KDM4E (0.52) SPHK1KDM4ESLC18A3
SCHEMBL5689666 0.85 KDM4E (0.52) SPHK1KDM4ESLC18A3
SCHEMBL5690254 0.82 GRIN2B (0.53) SPHK1OPRM1OPRD1OPRK1KDM4E
SCHEMBL7026955 0.82 SLC18A3 (0.40) OPRM1OPRD1OPRK1SIGMAR1SLC18A3
SCHEMBL5690258 0.82 GRIN2B (0.53) SPHK1OPRM1OPRD1OPRK1KDM4E
SCHEMBL5689734 0.81 OPRM1 (0.44) SPHK1OPRM1OPRD1OPRK1ESR2
SCHEMBL6482674 0.81 KMT2A (0.47) SPHK1OPRM1OPRD1OPRK1
SCHEMBL6486620 0.81 AGTR2 (0.47) SPHK1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919377-B2 Cyclohexylamine derivative as subtype selective NMDA receptor antagonists WARNER LAMBERT COMPANY LLC (US) 2005-07-19 US disclosed
US-20030236286-A1 Cyclohexylamine derivative as subtype selective nmda receptor antagonists DEORAZIO RUSSELL JOSEPH (US) 2003-12-25 US 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-20030236286-A1 Cyclohexylamine derivative as subtype selective nmda receptor antagonists GRIN1, GRIN2A, GRIN2B SPHK1 958/4885OPRM1 18/4885OPRD1 42/4885

“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.