SCHEMBL6697010

SCHEMBL6697010

O=C(CCc1ccccc1)NC1CCC(c2ccc(OCc3ccccc3)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
FFAR4 Q5NUL3 2/20 0.46
FFAR1 O14842 1/20 0.46
EPHX2 P34913 1/20 0.46
P4HTM Q9NXG6 1/20 0.45
LTA4H P09960 2/20 0.45
EPHX1 P07099 1/20 0.45
YAP1 P46937 1/20 0.45

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
SCHEMBL6697006 1.00 KDM1A (0.48) KDM1AMAOAMAOBCYP4F2CYP4A11
SCHEMBL8337436 0.87 EPHX2 (0.49) EPHX2EPHX1
SCHEMBL6701117 0.87 EPHX2 (0.49) EPHX2EPHX1
SCHEMBL6701112 0.87 EPHX2 (0.49) EPHX2EPHX1
Hydrochloric Acid SCHEMBL5961236 0.86 EPHX2 (0.48) EPHX2EPHX1
Hydrochloric Acid SCHEMBL5961238 0.86 EPHX2 (0.48) EPHX2EPHX1
SCHEMBL20754970 0.81 L3MBTL1 (0.54) MAOAMAOBP4HTM
SCHEMBL6716983 0.79 KMT2A (0.46) KDM1AMAOAMAOBP4HTM
SCHEMBL6716995 0.79 KMT2A (0.46) KDM1AMAOAMAOBP4HTM
SCHEMBL6700517 0.79 FFAR1 (0.44) CYP4F2CYP4A11FFAR4FFAR1P4HTM

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 855/4885MAOA 2028/4885MAOB 2177/4885

“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.