SCHEMBL3495754

SCHEMBL3495754

Cc1cc(C(=O)N2CCN(C(=O)O)C[C@H]2CN2CCC(C(N)=O)CC2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
OPRK1 P41145 2/20 0.36
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 1/20 0.34
CNR2 P34972 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHEK1 O14757 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL13341216 0.90 CCR3 (0.38) POLB
SCHEMBL3495007 0.89 USP2 (0.42) POLBSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3492416 0.88 AKT1 (0.39) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3494818 0.85 LMNA (0.39) POLBALDH1A1MAPTCNR2CYP2C19
SCHEMBL3495346 0.85 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL8235842 0.85 HCRTR1 (0.39) POLBSMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL3492063 0.84 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL3493419 0.83 CCR3 (0.38)
SCHEMBL3493841 0.81 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL5139945 0.81 NOTUM (0.37) POLBSMN1; SMN2ALDH1A1MAPTNPC1

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 1 patent. 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

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 POLB 1984/4885SMN1; SMN2 4730/4885ALDH1A1 1062/4885

“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.