SCHEMBL3494801

SCHEMBL3494801

O=C(O)c1ncn(C2CCc3ccccc3C2)c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.55
OGFRL1 Q5TC84 1/20 0.42
GRIN2B Q13224 2/20 0.39
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
AKR1C3 P42330 1/20 0.37
FAAH O00519 2/20 0.36
TSHR P16473 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CNR1 P21554 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 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
SCHEMBL3491411 0.91 CYP11B2 (0.49) CYP11B2OGFRL1KDM4AKDM5AKDM4C
SCHEMBL3493755 0.87 CYP11B2 (0.50) CYP11B2GRIN2BFAAHMTNR1AMTNR1B
SCHEMBL13819261 0.81 CNR1 (0.40) CYP11B2OGFRL1CNR1OPRM1OPRK1
SCHEMBL3492712 0.80 CYP11B2 (0.51) CYP11B2TSHR
SCHEMBL13339990 0.80 CYP11B2 (0.51) CYP11B2TSHR
SCHEMBL3492863 0.78 CYP11B2 (0.49) CYP11B2KDM4CTSHRCNR1
SCHEMBL3494782 0.78 CYP11B2 (0.44) CYP11B2
SCHEMBL13819262 0.74 CYP11B2 (0.39) CYP11B2CNR1
SCHEMBL8229984 0.74 HRH3 (0.40) CYP11B2FAAH
Hydrochloric Acid SCHEMBL3495482 0.73 PIM1 (0.45) CNR1

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 5 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
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
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 29/4885OGFRL1 1356/4885GRIN2B 1952/4885

“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.