SCHEMBL6483016

SCHEMBL6483016

COc1ccc(CCN[C@H]2CC[C@@H](c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
SPHK1 Q9NYA1 1/20 0.51
CALM1 P0DP23 1/20 0.50
ADRB3 P13945 1/20 0.45
KCNA5 P22460 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ESR2 Q92731 1/20 0.42
ALOX5 P09917 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL6483020 1.00 KMT2A (0.51) KMT2APOLBSPHK1CALM1ADRB3
SCHEMBL6496123 1.00 KMT2A (0.51) KMT2APOLBSPHK1CALM1ADRB3
SCHEMBL6481837 0.93 SPHK1 (0.55) KMT2APOLBSPHK1CALM1ADRB3
SCHEMBL6495537 0.93 SPHK1 (0.55) KMT2APOLBSPHK1CALM1ADRB3
SCHEMBL5560596 0.85 POLB (0.65) KMT2APOLBMAPTKDM4ESMN1; SMN2
SCHEMBL6495269 0.83 SPHK1 (0.51) SPHK1KCNH2SMN1; SMN2ESR2ALOX5
SCHEMBL6483997 0.83 SPHK1 (0.51) SPHK1KCNH2SMN1; SMN2ESR2ALOX5
SCHEMBL6484000 0.83 SPHK1 (0.51) SPHK1KCNH2SMN1; SMN2ESR2ALOX5
SCHEMBL6836169 0.82 GRIN2B (0.51) SPHK1SMN1; SMN2
SCHEMBL6836202 0.82 GRIN2B (0.51) SPHK1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236286-A1 Cyclohexylamine derivative as subtype selective nmda receptor antagonists DEORAZIO RUSSELL JOSEPH (US) 2003-12-25 US claimed
EP-1278716-A1 CYCLOHEXYLAMINE DERIVATIVE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-01-29 EP claimed
WO-2001081295-A1 CYCLOHEXYLAMINE DERIVATIVE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-11-01 WO claimed
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
EP-1278716-A1 CYCLOHEXYLAMINE DERIVATIVE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-01-29 EP disclosed
WO-2001081295-A1 CYCLOHEXYLAMINE DERIVATIVE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-11-01 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-20030236286-A1 Cyclohexylamine derivative as subtype selective nmda receptor antagonists GRIN1, GRIN2A, GRIN2B KMT2A 1532/4885POLB 2630/4885SPHK1 958/4885

“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.