SCHEMBL6698643

SCHEMBL6698643

OC1(c2ccc(OCc3ccccc3)cn2)CCC2(CC1)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.45
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAOB P27338 5/20 0.39
MAOA P21397 3/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 1/20 0.38
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
CYP4F2 P78329 2/20 0.36

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
SCHEMBL5690507 0.82 LMNA (0.47) GRIN1GRIN2BLMNACYP1A2PTGS1
SCHEMBL6256635 0.80 P4HTM (0.50) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL2512346 0.79 POLB (0.43) LMNAGAAKMT2AMAPTSMN1; SMN2
SCHEMBL6699445 0.76 P4HTM (0.43) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL6699442 0.76 P4HTM (0.43) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL6280183 0.76 P4HTM (0.43) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL15760377 0.76 POLB (0.33) GAAKMT2AALDH1A1
SCHEMBL6267340 0.76 PDE10A (0.31)
SCHEMBL2508947 0.76 GABRA5 (0.44) GRIN1GRIN2BACACBACACA
SCHEMBL25198368 0.75 DHFR (0.36) LMNAGAAALDH1A1

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 P4HTM 1145/4885GRIN1 1/4885GRIN2B 4/4885

“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.