SCHEMBL3493404

SCHEMBL3493404

Cc1cc(C(=O)N2CCN(C(=O)O)C[C@H]2C=Cc2ccccc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
NOTUM Q6P988 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 4/20 0.36
NPC1 O15118 3/20 0.36
CNR2 P34972 4/20 0.36
CNR1 P21554 3/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
LMNA P02545 4/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
GHSR Q92847 1/20 0.33
EGFR P00533 1/20 0.32
MAPK1 P28482 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
SCHEMBL3493399 1.00 ALDH1A1 (0.39) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL3491924 0.89 ALDH1A1 (0.41) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL8237200 0.89 GPR119 (0.38) ALDH1A1MAPTLMNATP53MEN1
SCHEMBL3492063 0.81 ALDH1A1 (0.41) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL3492045 0.81 ALDH1A1 (0.41) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL3491571 0.79 CNR2 (0.39) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL3495346 0.79 SMN1; SMN2 (0.41) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL3493841 0.79 ALDH1A1 (0.39) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL3496494 0.79 CNR2 (0.39) ALDH1A1NOTUMSMN1; SMN2RAB9AMAPT
SCHEMBL3491575 0.79 CNR2 (0.39) 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 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.