SCHEMBL4294281

SCHEMBL4294281

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.43
CYP19A1 P11511 1/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
USP19 O94966 3/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
CYP3A4 P08684 5/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
CA1 P00915 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
SCHEMBL4286295 0.88 CHRM2 (0.42) EEDCYP19A1TSHRMEN1KMT2A
SCHEMBL4288675 0.88 CHRM2 (0.42) EEDCYP19A1TSHRMEN1KMT2A
SCHEMBL4286290 0.88 CHRM2 (0.42) EEDCYP19A1TSHRMEN1KMT2A
SCHEMBL4286661 0.79 CYP19A1 (0.44) EEDCYP19A1TSHRMEN1KMT2A
SCHEMBL3495474 0.77 CYP19A1 (0.46) EEDCYP19A1TSHRMEN1KMT2A
SCHEMBL3494988 0.74 CYP3A4 (0.46) EEDCYP19A1TSHRMEN1KMT2A
SCHEMBL3494991 0.74 CYP3A4 (0.46) EEDCYP19A1TSHRMEN1KMT2A
SCHEMBL4285832 0.73 ALDH1A1 (0.45) CYP19A1TSHRMEN1KMT2AGAA
SCHEMBL20028096 0.73 CYP19A1 (0.54) EEDCYP19A1TSHRMEN1KMT2A
SCHEMBL3492101 0.73 CYP19A1 (0.45) EEDCYP19A1TSHRMEN1KMT2A

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 EED 3069/4885CYP19A1 705/4885TSHR 3226/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT EED 3069/4885CYP19A1 705/4885TSHR 3226/4885

“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.