SCHEMBL3494682

SCHEMBL3494682

CC(C)(C)C(c1ccccc1)N1CCN(C(=O)O)CC1CO

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CHRM1 P11229 4/20 0.37
TACR1 P25103 1/20 0.36
CACNA1A O00555 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNB1 Q02641 1/20 0.35
TSHR P16473 1/20 0.35
CACNA1G O43497 1/20 0.35
CHRM3 P20309 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3493067 0.84 ALDH1A1 (0.37) KMT2AMEN1CHRM1CACNA1ACACNA2D1
SCHEMBL5048028 0.83 ALDH1A1 (0.43) KMT2AMEN1CACNA2D1CACNB1
SCHEMBL3495205 0.81 HMOX2 (0.41)
SCHEMBL28429419 0.76 KMT2A (0.40) KMT2AMEN1TACR1CACNA1ACACNA2D1
SCHEMBL4899270 0.75 KMT2A (0.56) KMT2AMEN1CHRM1CACNA2D1CACNB1
SCHEMBL649412 0.75 GPR119 (0.38) KMT2AMEN1CHRM3
SCHEMBL4279035 0.75 GPR119 (0.44) KMT2AMEN1CHRM1CHRM3
SCHEMBL20141312 0.73 MEN1 (0.34) KMT2AMEN1TACR1CHRM3
SCHEMBL17781830 0.72 KMT2A (0.41) KMT2AMEN1CHRM3
SCHEMBL911824 0.70 ALDH1A1 (0.45) KMT2AMEN1CACNA2D1CACNB1

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 KMT2A 952/4885MEN1 750/4885CHRM1 60/4885

“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.