SCHEMBL6280183

SCHEMBL6280183

CNC1CCC(O)(c2ccc(OCc3ccccc3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.43
FOXM1 Q08050 1/20 0.40
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
KDM1A O60341 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6699442 1.00 P4HTM (0.43) P4HTMFOXM1KDM4ELMNAKMT2A
SCHEMBL6699445 1.00 P4HTM (0.43) P4HTMFOXM1KDM4ELMNAKMT2A
SCHEMBL6701685 0.87 KDM1A (0.46) P4HTMFOXM1KDM4EKMT2ASMN1; SMN2
SCHEMBL6701684 0.87 KDM1A (0.46) P4HTMFOXM1KDM4EKMT2ASMN1; SMN2
SCHEMBL6701680 0.87 KDM1A (0.46) P4HTMFOXM1KDM4EKMT2ASMN1; SMN2
SCHEMBL6256635 0.78 P4HTM (0.50) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL6253429 0.77 EPHX2 (0.44) MAOAMAOBKDM1A
SCHEMBL6253438 0.77 EPHX2 (0.44) MAOAMAOBKDM1A
SCHEMBL6253433 0.77 EPHX2 (0.44) MAOAMAOBKDM1A
SCHEMBL6352186 0.77 DEGS1 (0.33) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575586-A1 2-PYRIDYL AND 2-PYRIMIDYL CYCLOALKYLENE AMIDE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS Pfizer Japan Inc. (JP) 2005-09-21 EP disclosed
US-20040152715-A1 Cycloalkylene amide compounds as NR2B receptor antagonists KAWAI MAKOTO (JP) 2004-08-05 US disclosed
WO-2004054579-A1 2-PYRIDYL AND 2-PYRIMIDYL CYCLOALKYLENE AMIDE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2004-07-01 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-20040152715-A1 Cycloalkylene amide compounds as NR2B receptor antagonists GRIN1, GRIN3A, GRIN2A P4HTM 1145/4885FOXM1 2508/4885KDM4E 1374/4885

“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.