SCHEMBL3493067

SCHEMBL3493067

CC(C)(C)C(c1ccccc1)N1CCN(C(=O)O)CC1COS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CHRM1 P11229 3/20 0.34
TSHR P16473 2/20 0.34
GAA P10253 3/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
CACNA1A O00555 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNB1 Q02641 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
NOD2 Q9HC29 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
SCHEMBL3494682 0.84 KMT2A (0.39) MEN1KMT2ACHRM1TSHRGAA
SCHEMBL30961628 0.77 MGLL (0.46) MEN1KMT2AGAALMNANPSR1
SCHEMBL3495205 0.75 HMOX2 (0.41) POLBCYP3A4CYP2D6
SCHEMBL4976543 0.74 CA1 (0.50) ALDH1A1TSHRGAALMNACA1
SCHEMBL30961609 0.71 MGLL (0.44)
SCHEMBL19948739 0.70 CA1 (0.32) CA1CA2CA4CA9
SCHEMBL20745908 0.70 CA1 (0.32) CA1CA2CA4CA9
SCHEMBL4899270 0.70 KMT2A (0.56) ALDH1A1MEN1KMT2ACHRM1LMNA
SCHEMBL649412 0.70 GPR119 (0.38) MEN1KMT2A
SCHEMBL15770735 0.69 CA1 (0.40) ALDH1A1TSHRGAACA1CA2

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 1062/4885MEN1 750/4885KMT2A 952/4885

“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.