SCHEMBL5366327

SCHEMBL5366327

O=C1COc2ccccc2C[N]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.41
MAOA P21397 3/20 0.41
OXTR P30559 1/20 0.38
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
DAPK3 O43293 1/20 0.34
RET P07949 1/20 0.34
PRKACA P17612 1/20 0.34

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
SCHEMBL3490518 0.73 MAOA (0.46) MAOBMAOAOXTRPKMTSHR
SCHEMBL30349594 0.70
SCHEMBL10170816 0.70 OXTR (0.52) MAOBMAOAOXTRKMT2AABCG2
SCHEMBL2490656 0.70 CYP1A2 (0.50) MAOBMAOAALDH1A1CYP1A2
SCHEMBL341904 0.69 KDM4E (0.47) MAOBMAOAPKMTSHRABCG2
SCHEMBL3962887 0.68 CYP1A2 (0.54) MAOBMAOAOXTRKMT2APKM
SCHEMBL5045846 0.68 MAOA (0.50) MAOBMAOAOXTRKMT2APKM
SCHEMBL6630183 0.68 CYP2A6 (0.46) MAOBMAOATSHRNPC1CYP1A2
SCHEMBL2503999 0.68 OXTR (0.42) MAOBMAOAOXTRKMT2APKM
SCHEMBL30450885 0.68 CYP1A2 (0.54) MAOBMAOAOXTRKMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US claimed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US claimed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 MAOB 325/4885MAOA 271/4885OXTR 229/4885

“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.