SCHEMBL3496489

SCHEMBL3496489

Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2Cc2ccc(C(=O)NCCO)cc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA4 P22748 4/20 0.46
CA9 Q16790 4/20 0.46
CHRM4 P08173 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC4 P56524 1/20 0.39
KCNH2 Q12809 1/20 0.39
HDAC1 Q13547 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39

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 0.89 CA1 (0.51) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3494825 0.87 CA1 (0.51) CA1CA2CA4CA9
SCHEMBL3493495 0.86 CA1 (0.47) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3491821 0.86 CA1 (0.47) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3495256 0.85 CA1 (0.47) CA1CA2CA4CA9LMNA
SCHEMBL3491482 0.84 CHRM4 (0.46) CHRM4
SCHEMBL3494436 0.84 CA1 (0.52) CA1CA2CA4CA9LMNA
SCHEMBL3495904 0.84 CA1 (0.43) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3495372 0.84 CA1 (0.43) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3492678 0.83 CA1 (0.49) CA1CA2CA4CA9

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 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.