SCHEMBL3495007

SCHEMBL3495007

CCOC(=O)C1CCN(C[C@@H]2CN(C(=O)O)CCN2C(=O)c2cc(C)n(-c3ccccc3)c2-c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 3/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
CCR8 P51685 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL13341176 0.91 USP2 (0.39) USP2ATMKDM4ETSHRNPC1
SCHEMBL3495754 0.89 POLB (0.38) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8231305 0.85 USP2 (0.41) USP2ATMKDM4ETSHRNPC1
SCHEMBL3494818 0.83 LMNA (0.39) KDM4EPOLBALDH1A1
SCHEMBL3492416 0.83 AKT1 (0.39) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL3493419 0.83 CCR3 (0.38)
SCHEMBL5139945 0.82 NOTUM (0.37) TSHRNPC1RAB9ASMN1; SMN2POLB
SCHEMBL3492063 0.82 ALDH1A1 (0.41) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13341216 0.81 CCR3 (0.38) POLB
SCHEMBL3493665 0.80 BCL2 (0.38) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1

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 USP2 3772/4885ATM 2412/4885KDM4E 780/4885

“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.