SCHEMBL6701680

SCHEMBL6701680

O[C@]1(c2ccc(OCc3ccccc3)cn2)CC[C@H](NCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.46
FOXM1 Q08050 1/20 0.44
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
BCHE P06276 1/20 0.41
GRIN2B Q13224 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL6701684 1.00 KDM1A (0.46) KDM1AFOXM1MAOAMAOBOPRM1
SCHEMBL6701685 1.00 KDM1A (0.46) KDM1AFOXM1MAOAMAOBOPRM1
SCHEMBL6699442 0.87 P4HTM (0.43) KDM1AFOXM1MAOAMAOBKMT2A
SCHEMBL6280183 0.87 P4HTM (0.43) KDM1AFOXM1MAOAMAOBKMT2A
SCHEMBL6699445 0.87 P4HTM (0.43) KDM1AFOXM1MAOAMAOBKMT2A
SCHEMBL6256635 0.77 P4HTM (0.50) MAOAMAOBP4HTM
SCHEMBL6253433 0.77 EPHX2 (0.44) KDM1AMAOAMAOB
SCHEMBL6253438 0.77 EPHX2 (0.44) KDM1AMAOAMAOB
SCHEMBL6253429 0.77 EPHX2 (0.44) KDM1AMAOAMAOB
SCHEMBL6268294 0.76 KDM1A (0.46) KDM1AFOXM1MAOAMAOBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152715-A1 Cycloalkylene amide compounds as NR2B receptor antagonists KAWAI MAKOTO (JP) 2004-08-05 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-20040152715-A1 Cycloalkylene amide compounds as NR2B receptor antagonists GRIN1, GRIN3A, GRIN2A KDM1A 855/4885FOXM1 2508/4885MAOA 2028/4885

“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.