SCHEMBL3491406

SCHEMBL3491406

Cc1cc(C(=O)N2CCN(C(=O)O)CC2C(=O)Nc2ccccn2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
VCP P55072 1/20 0.36
NTRK1 P04629 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPK10 P53779 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 1/20 0.35
FAAH O00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NOTUM Q6P988 1/20 0.35
CNR2 P34972 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL13340380 0.90 USP30 (0.42) NOS2
SCHEMBL3494485 0.81 CNR2 (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3492045 0.81 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3492063 0.77 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3491924 0.77 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3494849 0.76 HCRTR1 (0.46) NPC1RAB9ASMN1; SMN2HCRTR2MAPT
SCHEMBL3493665 0.75 BCL2 (0.38) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3495346 0.75 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3491571 0.75 CNR2 (0.39) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3493404 0.75 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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 RIPK1 4389/4885VCP 3529/4885NTRK1 3264/4885

“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.