SCHEMBL3496418

SCHEMBL3496418

Cc1cc(C(=O)N2CCN(C(=O)O)C[C@H]2Cc2ccc(OCc3noc(=O)[nH]3)cc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 12/20 0.38
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
SCD5 Q86SK9 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL3495460 0.82 CA1 (0.40) RAB9ANPC1MAPTALDH1A1
SCHEMBL3493707 0.82 CA1 (0.35) RAB9ANPC1MAPTLMNATSHR
SCHEMBL3492931 0.80 SPHK2 (0.40) ALDH1A1LMNAHTT
SCHEMBL3494368 0.78 CA1 (0.41)
SCHEMBL3494880 0.78 CA1 (0.41)
SCHEMBL3494719 0.76 ABHD6 (0.44) MAPTLMNA
SCHEMBL3495311 0.76 NOTUM (0.38)
SCHEMBL3492546 0.75 CA1 (0.40)
SCHEMBL5141229 0.75 CA1 (0.42)
SCHEMBL3493449 0.75 SMN1; SMN2 (0.42) RAB9ANPC1MAPTALDH1A1LMNA

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 PLA2G2A 3797/4885RAB9A 656/4885NPC1 3189/4885

“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.