SCHEMBL3494787

SCHEMBL3494787

CC(C)C(=O)[C@@H]1CNCCN1C(=O)c1ncn(C2Cc3ccccc3C2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.35
HTR2C P28335 5/20 0.32
HTR2B P41595 5/20 0.32
HTR2A P28223 4/20 0.32
USP19 O94966 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
KDM4A O75164 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
PRMT5 O14744 1/20 0.30

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
SCHEMBL3496018 0.84 CYP11B2 (0.35) CYP11B2KDM4AKDM5AKDM4CKDM5B
SCHEMBL3495198 0.82 CYP11B2 (0.36) CYP11B2HTR2CHTR2BHTR2AUSP19
SCHEMBL3495201 0.82 CYP11B2 (0.36) CYP11B2HTR2CHTR2BHTR2AUSP19
SCHEMBL3495449 0.81 AGTR2 (0.40) CYP11B2ALDH1A1DPP4DPP7
SCHEMBL3493471 0.81 CA1 (0.48) CYP11B2DPP4DPP7
SCHEMBL13341052 0.80 EGFR (0.39)
Hydrochloric Acid SCHEMBL3492976 0.80 CA1 (0.47) CYP11B2DPP4DPP7
SCHEMBL4986380 0.76 CYP11B2 (0.38) CYP11B2HTR2CHTR2BHTR2AALDH1A1
SCHEMBL3491411 0.73 CYP11B2 (0.49) CYP11B2ALDH1A1KDM4ENPSR1KDM4A
SCHEMBL3495602 0.72 CYP11B2 (0.34) CYP11B2ALDH1A1KDM4ENPSR1

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 3 patents. 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
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO 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 CYP11B2 29/4885HTR2C 503/4885HTR2B 417/4885

“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.