SCHEMBL6853296

SCHEMBL6853296

NCC1CC(c2ccc(F)cc2)=NO1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
APAF1 O14727 1/20 0.53
GRK2 P25098 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
MIF P14174 2/20 0.47
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL3990458 0.91 POLB (0.46) POLBAPAF1GRK2APOBEC3GMIF
SCHEMBL3982892 0.85 MIF (0.48) MIFRAB9ANPC1
SCHEMBL3984065 0.83 NPC1 (0.59) MIFRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL3983302 0.83 MIF (0.47) MIFRAB9ANPC1
SCHEMBL5994929 0.83 POLB (0.56) POLBAPAF1GRK2APOBEC3GMIF
SCHEMBL14084024 0.83 LMNA (0.50) MIFSMN1; SMN2
SCHEMBL3983987 0.83 LMNA (0.50) MIFSMN1; SMN2
SCHEMBL6021765 0.83 POLB (0.56) POLBAPAF1GRK2APOBEC3GMIF
SCHEMBL5997363 0.83 APAF1 (0.53) POLBAPAF1GRK2APOBEC3GMIF
SCHEMBL5994924 0.83 POLB (0.56) POLBAPAF1GRK2APOBEC3GMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030004212-A1 Cyclohexylamine derivatives as subtype selective N-Methyl-D-Aspartate antagonists DEORAZIO RUSSELL JOSEPH (US) 2003-01-02 US claimed
EP-1251128-A1 Cyclohexylamine derivatives as subtype selective N-methyl-D-aspartate antagonists WARNER-LAMBERT COMPANY (US) 2002-10-23 EP claimed
US-6828341-B2 Brain disorders; anticonvulsants; central nervous system disorders; psychological disorders WARNER-LAMBERT COMPANY 2004-12-07 US disclosed
US-20030004212-A1 Cyclohexylamine derivatives as subtype selective N-Methyl-D-Aspartate antagonists DEORAZIO RUSSELL JOSEPH (US) 2003-01-02 US disclosed
EP-1251128-A1 Cyclohexylamine derivatives as subtype selective N-methyl-D-aspartate antagonists WARNER-LAMBERT COMPANY (US) 2002-10-23 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-20030004212-A1 Cyclohexylamine derivatives as subtype selective N-Methyl-D-Aspartate antagonists GLRB, GRIN1, GRIN2B POLB 429/4885APAF1 4855/4885GRK2 286/4885

“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.