SCHEMBL3495256

SCHEMBL3495256

CCOC(=O)c1ccc(CC2CN(Cc3ccccc3)CCN2C(=O)c2cc(C)n(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA4 P22748 6/20 0.47
CA9 Q16790 6/20 0.47
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PRMT1 Q99873 1/20 0.42
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
TNF P01375 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NOD2 Q9HC29 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
SCHEMBL3493452 0.91 CA1 (0.51) CA1CA2CA4CA9LMNA
SCHEMBL3494825 0.90 CA1 (0.51) CA1CA2CA4CA9
SCHEMBL3493495 0.88 CA1 (0.47) CA1CA2CA4CA9NPC1
SCHEMBL3491821 0.88 CA1 (0.47) CA1CA2CA4CA9NPC1
SCHEMBL8238745 0.88 CA1 (0.41) CA1CA2CA4CA9LMNA
SCHEMBL3493529 0.86 CA1 (0.43) CA1CA2CA4CA9MAPK1
SCHEMBL3492305 0.86 CA1 (0.43) CA1CA2CA4CA9MAPK1
SCHEMBL3496489 0.85 CA1 (0.46) CA1CA2CA4CA9LMNA
Hydrochloric Acid SCHEMBL3494725 0.85 CA1 (0.43) CA1CA2CA4CA9MAPK1
SCHEMBL3495254 0.85 CA1 (0.42) CA1CA2CA4CA9LMNA

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 CA1 2606/4885CA2 1023/4885CA4 1470/4885

“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.