SCHEMBL3493707

SCHEMBL3493707

Cc1cc(C(=O)N2CCN(C(=O)O)C[C@H]2Cc2ccc(OCC#N)cc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.35
CA2 P00918 14/20 0.35
CA4 P22748 14/20 0.35
CA9 Q16790 14/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32
HPGD P15428 1/20 0.32
GYS1 P13807 1/20 0.32

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
SCHEMBL8235378 0.91 ABHD6 (0.43) ABHD6DAGLA
SCHEMBL3495460 0.86 CA1 (0.40) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL3493841 0.85 ALDH1A1 (0.39) SMN1; SMN2LMNATSHRHTTMAPT
SCHEMBL3494099 0.85 NOTUM (0.47) CA1CA2CA4CA9
SCHEMBL3492931 0.83 SPHK2 (0.40) CA1CA2CA4CA9LMNA
SCHEMBL3496418 0.82 PLA2G2A (0.38) LMNATSHRHTTMAPTNPC1
SCHEMBL3494368 0.81 CA1 (0.41) CA1CA2CA4CA9
SCHEMBL3494880 0.81 CA1 (0.41) CA1CA2CA4CA9
SCHEMBL3494719 0.81 ABHD6 (0.44) LMNAMAPTTP53ABHD6DAGLA
SCHEMBL3495311 0.81 NOTUM (0.38) CA1CA2CA4CA9ABHD6

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
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP 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.