SCHEMBL3496193

SCHEMBL3496193

Cc1cc(C(=O)N2CCN(C(=O)O)C[C@H]2C(c2ccccc2)C(C)(C)C)c(-c2cccc(O)c2)n1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.34
CNR1 P21554 3/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
TP53 P04637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
NOTUM Q6P988 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MYC P01106 1/20 0.33
MGLL Q99685 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 1/20 0.31
MAPK10 P53779 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL3494287 0.95 NOTUM (0.35) CNR2CNR1MAPTLMNATP53
SCHEMBL3493899 0.88 DHODH (0.36) MAPTLMNANPSR1NOTUMALDH1A1
SCHEMBL3494806 0.88 NOTUM (0.35) CNR2CNR1MAPTLMNANOTUM
SCHEMBL3491575 0.82 CNR2 (0.39) CNR2CNR1MAPTLMNATP53
SCHEMBL3496494 0.82 CNR2 (0.39) CNR2CNR1MAPTLMNATP53
SCHEMBL3491571 0.82 CNR2 (0.39) CNR2CNR1MAPTLMNATP53
SCHEMBL3495945 0.81 NOTUM (0.34) LMNATP53NOTUMALDH1A1SMN1; SMN2
SCHEMBL3494368 0.80 CA1 (0.41)
SCHEMBL3493410 0.77 ALDH1A1 (0.38) CNR2CNR1MAPTLMNATP53
SCHEMBL3493406 0.77 ALDH1A1 (0.38) CNR2CNR1MAPTLMNATP53

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 CNR2 375/4885CNR1 388/4885MAPT 4821/4885

“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.