SCHEMBL3495474

SCHEMBL3495474

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
ALDH1A1 P00352 8/20 0.45
TSHR P16473 4/20 0.45
CYP3A4 P08684 4/20 0.45
NPSR1 Q6W5P4 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
CYP1A2 P05177 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL3492101 0.86 CYP19A1 (0.45) CYP19A1ALDH1A1TSHRCYP3A4NPSR1
SCHEMBL3492742 0.83 CYP19A1 (0.41) CYP19A1ALDH1A1TSHRCYP3A4NPSR1
SCHEMBL3491496 0.81 CYP19A1 (0.44) CYP19A1ALDH1A1TSHRCYP3A4NPSR1
SCHEMBL3491424 0.79 CYP19A1 (0.48) CYP19A1ALDH1A1TSHRCYP3A4NPSR1
SCHEMBL3494991 0.78 CYP3A4 (0.46) CYP19A1ALDH1A1TSHRCYP3A4NPSR1
SCHEMBL3494988 0.78 CYP3A4 (0.46) CYP19A1ALDH1A1TSHRCYP3A4NPSR1
SCHEMBL3492560 0.78 CYP19A1 (0.41) CYP19A1ALDH1A1TSHRCYP3A4NPSR1
SCHEMBL20028096 0.77 CYP19A1 (0.54) CYP19A1ALDH1A1TSHRCYP3A4NPSR1
SCHEMBL3494508 0.77 CYP19A1 (0.50) CYP19A1ALDH1A1TSHRCYP3A4NPSR1
SCHEMBL4294281 0.77 EED (0.43) CYP19A1ALDH1A1TSHRCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 CYP19A1 705/4885ALDH1A1 1062/4885TSHR 684/4885

“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.