SCHEMBL6483997

SCHEMBL6483997

Oc1ccc(C2CCC(NCCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.51
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX5 P09917 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRIN2B Q13224 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
ESR2 Q92731 4/20 0.43
ESR1 P03372 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL6495269 1.00 SPHK1 (0.51) SPHK1ALDH1A1SMN1; SMN2ALOX5KCNH2
SCHEMBL6484000 1.00 SPHK1 (0.51) SPHK1ALDH1A1SMN1; SMN2ALOX5KCNH2
SCHEMBL5689938 0.92 SPHK1 (0.55) SPHK1ALDH1A1SMN1; SMN2ALOX5KCNH2
SCHEMBL5689937 0.92 SPHK1 (0.55) SPHK1ALDH1A1SMN1; SMN2ALOX5KCNH2
SCHEMBL6836169 0.86 GRIN2B (0.51) SPHK1ALDH1A1SMN1; SMN2GRIN2B
SCHEMBL5689748 0.86 GRIN2B (0.55) SPHK1GRIN2B
SCHEMBL5691767 0.86 GRIN2B (0.55) SPHK1GRIN2B
SCHEMBL5689744 0.86 GRIN2B (0.55) SPHK1GRIN2B
SCHEMBL6836202 0.86 GRIN2B (0.51) SPHK1ALDH1A1SMN1; SMN2GRIN2B
SCHEMBL2466298 0.83 TAAR1 (0.53) GRIN2BJAK2JAK1TYK2JAK3

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 9 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
CN-1441773-A Cyclohexylamine derivative as subtype selective NMDA receptor Antagonists WARNER LAMBERT CO (US) 2003-09-10 CN 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
CN-1441773-A Cyclohexylamine derivative as subtype selective NMDA receptor Antagonists WARNER LAMBERT CO (US) 2003-09-10 CN 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 SPHK1 958/4885ALDH1A1 1840/4885SMN1; SMN2 498/4885

“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.