SCHEMBL3492045

SCHEMBL3492045

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
NOTUM Q6P988 4/20 0.41
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 5/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CNR2 P34972 4/20 0.38
CNR1 P21554 3/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 3/20 0.35
TP53 P04637 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GHSR Q92847 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
MYC P01106 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
SCHEMBL3492063 0.84 ALDH1A1 (0.41) ALDH1A1NOTUMSMN1; SMN2MAPTRAB9A
SCHEMBL3491924 0.84 ALDH1A1 (0.41) ALDH1A1NOTUMSMN1; SMN2MAPTRAB9A
SCHEMBL3494485 0.83 CNR2 (0.41) ALDH1A1NOTUMSMN1; SMN2MAPTRAB9A
SCHEMBL3493537 0.82 GPR119 (0.41) ALDH1A1NOTUMMAPTTP53
SCHEMBL3493404 0.81 ALDH1A1 (0.39) ALDH1A1NOTUMSMN1; SMN2MAPTRAB9A
SCHEMBL3495346 0.81 SMN1; SMN2 (0.41) ALDH1A1NOTUMSMN1; SMN2MAPTRAB9A
SCHEMBL3491571 0.81 CNR2 (0.39) ALDH1A1NOTUMSMN1; SMN2MAPTRAB9A
SCHEMBL3493399 0.81 ALDH1A1 (0.39) ALDH1A1NOTUMSMN1; SMN2MAPTRAB9A
SCHEMBL3496494 0.81 CNR2 (0.39) ALDH1A1NOTUMSMN1; SMN2MAPTRAB9A
SCHEMBL3493841 0.81 ALDH1A1 (0.39) ALDH1A1NOTUMSMN1; SMN2MAPTRAB9A

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 ALDH1A1 1062/4885NOTUM 1289/4885SMN1; SMN2 4730/4885

“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.