SCHEMBL3495205

SCHEMBL3495205

CC(C)(C)C(c1ccccc1)N1CCN(C(=O)O)CC1Cn1ccnc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMOX2 P30519 1/20 0.41
TBXAS1 P24557 2/20 0.40
CYP19A1 P11511 3/20 0.39
CYP17A1 P05093 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP26A1 O43174 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
POLB P06746 1/20 0.36

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 0.81 KMT2A (0.39)
SCHEMBL3493067 0.75 ALDH1A1 (0.37) CYP3A4CYP2D6POLB
SCHEMBL4982127 0.75 CYP19A1 (0.48) TBXAS1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL3495204 0.69 OPRD1 (0.46) TBXAS1CYP19A1CYP11B1CYP11B2CYP3A4
SCHEMBL4899270 0.67 KMT2A (0.56) MGLLCYP2D6
SCHEMBL649412 0.67 GPR119 (0.38)
SCHEMBL5048028 0.65 ALDH1A1 (0.43) MGLL
SCHEMBL17781830 0.64 KMT2A (0.41)
SCHEMBL4285903 0.63 ALDH1A1 (0.41) TBXAS1CYP19A1
SCHEMBL4983491 0.63 ALDH1A1 (0.41) TBXAS1CYP19A1

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 HMOX2 1980/4885TBXAS1 805/4885CYP19A1 705/4885

“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.