SCHEMBL3322129

SCHEMBL3322129

N#Cc1cc2cnccc2nc1NCCN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.50
BCHE P06276 6/20 0.50
MAOB P27338 2/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
CHRNA7 P36544 1/20 0.46
HTR3A P46098 1/20 0.46
PRMT6 Q96LA8 2/20 0.46
CARM1 Q86X55 1/20 0.46
CCR3 P51677 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3630106 0.79 SLC6A2 (0.54) SLC6A2SLC6A4PRMT6CARM1CCR3
SCHEMBL6071067 0.71 ACHE (0.63) ACHEMEN1KMT2A
SCHEMBL29448595 0.69 PRMT6 (0.71) SLC6A2PRMT6CARM1CCR3
SCHEMBL3318445 0.67 PRMT6 (0.54) SLC6A2SLC6A4PRMT6CARM1CCR3
SCHEMBL4768838 0.66 CCR3 (0.57) SLC6A2SLC6A4PRMT6CARM1CCR3
SCHEMBL3320600 0.65 PRMT6 (0.49) SLC6A2SLC6A4PRMT6CARM1CCR3
SCHEMBL3322284 0.65 PRMT6 (0.52) MAOBSLC6A2SLC6A4PRMT6CARM1
SCHEMBL3319043 0.65 PRMT6 (0.52) SLC6A2SLC6A4PRMT6CARM1CCR3
SCHEMBL6072029 0.65 PGK1 (0.61) MEN1KMT2A
SCHEMBL7238621 0.65 CCR3 (0.67) PRMT6CARM1CCR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
EP-2155748-A1 UROTENSIN II RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 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-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, AGTR1, AGTR2 ACHE 3281/4885BCHE 2874/4885MAOB 1525/4885

“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.