SCHEMBL3492863

SCHEMBL3492863

O=C(O)c1ncn([C@@H]2CCCc3ccccc32)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.49
HSD11B1 P28845 1/20 0.41
TSHR P16473 2/20 0.40
HTR2C P28335 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTT P42858 1/20 0.39
CHRNA7 P36544 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL3492712 0.93 CYP11B2 (0.51) CYP11B2HSD11B1TSHR
SCHEMBL13339990 0.93 CYP11B2 (0.51) CYP11B2HSD11B1TSHR
SCHEMBL3491293 0.88 CYP11B2 (0.48) CYP11B2HSD11B1TSHRHTR2CCYP1A2
SCHEMBL3491295 0.85 CYP11B2 (0.48) CYP11B2HSD11B1TSHRHTR2CKDM4C
SCHEMBL3494303 0.81 CYP11B2 (0.49) CYP11B2HSD11B1MEN1KMT2A
SCHEMBL13819262 0.80 CYP11B2 (0.39) CYP11B2MEN1KMT2ACNR1
SCHEMBL3491411 0.78 CYP11B2 (0.49) CYP11B2TSHRKDM4CMEN1KMT2A
SCHEMBL3494801 0.78 CYP11B2 (0.55) CYP11B2TSHRKDM4CCNR1
SCHEMBL3491294 0.77 CNR1 (0.42) HSD11B1TSHRHTR2CHTTHPGD
SCHEMBL2822478 0.77 CYP11B2 (0.49) CYP11B2HSD11B1TSHRHTR2CKDM4C

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 2 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

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 29/4885HSD11B1 103/4885TSHR 684/4885

“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.