SCHEMBL3496010

SCHEMBL3496010

Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2CC=O)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA4 P22748 4/20 0.40
CA9 Q16790 4/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 5/20 0.37
NOTUM Q6P988 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.36
AGTR2 P50052 1/20 0.36
LMNA P02545 2/20 0.36
MGLL Q99685 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3491625 0.91 SMN1; SMN2 (0.42) CA1CA2CA4CA9DRD2
SCHEMBL3495372 0.90 CA1 (0.43) CA1CA2CA4CA9DRD2
SCHEMBL3495904 0.90 CA1 (0.43) CA1CA2CA4CA9DRD2
SCHEMBL3495662 0.89 CA1 (0.42) CA1CA2CA4CA9DRD2
SCHEMBL3494436 0.88 CA1 (0.52) CA1CA2CA4CA9DRD2
SCHEMBL3493946 0.88 DRD2 (0.42) CA1CA2CA4CA9DRD2
SCHEMBL3492364 0.88 DRD2 (0.42) CA1CA2CA4CA9DRD2
SCHEMBL8237790 0.88 CA1 (0.39) CA1CA2CA4CA9DRD2
SCHEMBL3491821 0.86 CA1 (0.47) CA1CA2CA4CA9DRD2
SCHEMBL3493495 0.86 CA1 (0.47) CA1CA2CA4CA9DRD2

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.