SCHEMBL4286290

SCHEMBL4286290

CCOC(=O)c1ncn([C@H](c2ccccc2)C2(O)CCCCC2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CHRM4 P08173 1/20 0.42
EED O75530 1/20 0.41
CYP19A1 P11511 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP1A2 P05177 4/20 0.40
GABRA1 P14867 3/20 0.40

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
SCHEMBL4286295 1.00 CHRM2 (0.42) CHRM2CHRM1CHRM3CHRM4EED
SCHEMBL4288675 1.00 CHRM2 (0.42) CHRM2CHRM1CHRM3CHRM4EED
SCHEMBL4294281 0.88 EED (0.43) CHRM2CHRM1CHRM3CHRM4EED
SCHEMBL4750083 0.85 USP19 (0.36) CHRM2CHRM1CHRM3CHRM4GAA
SCHEMBL4286661 0.77 CYP19A1 (0.44) EEDCYP19A1MEN1KMT2AGAA
SCHEMBL3494991 0.77 CYP3A4 (0.46) EEDCYP19A1MEN1KMT2AGAA
SCHEMBL3494988 0.77 CYP3A4 (0.46) EEDCYP19A1MEN1KMT2AGAA
SCHEMBL3492101 0.76 CYP19A1 (0.45) EEDCYP19A1MEN1KMT2AGAA
SCHEMBL3494466 0.75 CYP19A1 (0.44) EEDCYP19A1MEN1KMT2AGAA
SCHEMBL3491496 0.75 CYP19A1 (0.44) EEDCYP19A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CHRM2 3686/4885CHRM1 3125/4885CHRM3 3197/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CHRM2 3686/4885CHRM1 3125/4885CHRM3 3197/4885

“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.