SCHEMBL3493665

SCHEMBL3493665

COC(=O)CC1CN(C(=O)O)CCN1C(=O)c1cc(C)n(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.38
BAD Q92934 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NOTUM Q6P988 1/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
RAB9A P51151 4/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
CNR2 P34972 6/20 0.37
CNR1 P21554 5/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 4/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL13341002 0.90 KAT7 (0.40) BCL2BAD
SCHEMBL3495346 0.89 SMN1; SMN2 (0.41) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL3492063 0.88 ALDH1A1 (0.41) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL3494849 0.87 HCRTR1 (0.46) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL8237790 0.86 CA1 (0.39) BCL2BADALDH1A1SMN1; SMN2RAB9A
SCHEMBL3495223 0.86 CNR2 (0.38) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL3493192 0.85 CNR2 (0.38) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL3493841 0.85 ALDH1A1 (0.39) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL3494146 0.84 CNR2 (0.38) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL5139945 0.84 NOTUM (0.37) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT

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 BCL2 1347/4885BAD 1037/4885ALDH1A1 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.