SCHEMBL3494034

SCHEMBL3494034

COc1nc(C(=O)O)c(-c2ccccc2)n1-c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.48
ALDH1A1 P00352 3/20 0.42
NOTUM Q6P988 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHB4 P54760 1/20 0.41
PDE10A Q9Y233 1/20 0.39
TSHR P16473 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL3492457 0.87 ALDH1A1 (0.47) ALDH1A1LMNATSHRCA1CA2
SCHEMBL3491959 0.83 MDM2 (0.48) MDM2ALDH1A1L3MBTL1CA1CA2
SCHEMBL3493378 0.82 ALDH1A1 (0.43) MDM2ALDH1A1LMNATSHR
SCHEMBL3496089 0.77 TSHR (0.45) ALDH1A1LMNAL3MBTL1TSHR
SCHEMBL8238120 0.76 ALDH1A1 (0.44) ALDH1A1LMNATSHRCA1CA2
SCHEMBL3495292 0.73 AVPR2 (0.44) MDM2ALDH1A1LMNAPDE10ATSHR
SCHEMBL3492284 0.72 SLC5A1 (0.47) ALDH1A1LMNATSHR
SCHEMBL3491954 0.72 ALDH1A1 (0.53) ALDH1A1TSHRCA1CA2
SCHEMBL25254988 0.70 MDM2 (0.49) MDM2ALDH1A1LMNAL3MBTL1
SCHEMBL3493632 0.69 ALDH1A1 (0.46) ALDH1A1LMNAL3MBTL1TSHR

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-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
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO 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 MDM2 3846/4885ALDH1A1 1062/4885NOTUM 1289/4885

“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.