SCHEMBL3491683

SCHEMBL3491683

CCc1nn(Cc2ccccc2)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP19A1 P11511 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GRN P28799 2/20 0.46
SORT1 Q99523 2/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.44
NR1H3 Q13133 2/20 0.43
NR1H2 P55055 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 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
SCHEMBL7539974 0.82 CYP19A1 (0.46) POLBCYP19A1SMN1; SMN2GRNSORT1
SCHEMBL31194618 0.75 MAPK1 (0.57) POLBMEN1KMT2ASMN1; SMN2PTGDR2
SCHEMBL3493199 0.75 POLB (0.52) POLBMEN1KMT2ASMN1; SMN2GRN
SCHEMBL6068438 0.75 POLB (0.59) POLBMEN1KMT2ACYP19A1SMN1; SMN2
SCHEMBL19209447 0.75 MAPK1 (0.71) POLBMEN1KMT2ACYP19A1SMN1; SMN2
SCHEMBL13301206 0.74 CYP19A1 (0.46) POLBMEN1KMT2ACYP19A1SMN1; SMN2
SCHEMBL14482907 0.72 POLB (0.52) POLBMEN1KMT2ASMN1; SMN2GRN
SCHEMBL2163465 0.71 POLB (0.76) POLBMEN1KMT2APTGDR2ALDH1A1
SCHEMBL3495562 0.71 GFER (0.46) POLBMEN1KMT2ACYP19A1ALDH1A1
SCHEMBL19231119 0.71 GAA (0.54) POLBMEN1KMT2ACYP19A1SMN1; SMN2

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-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 POLB 1984/4885MEN1 750/4885KMT2A 952/4885

“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.