SCHEMBL4025552

SCHEMBL4025552

COc1c(C#N)cc2ccccc2c1C(=O)NCC(CCO[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.45
TACR1 P25103 4/20 0.45
TACR3 P29371 4/20 0.45
ALDH1A1 P00352 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
P2RX7 Q99572 1/20 0.33
PTGFR P43088 11/20 0.32
EGLN2 Q96KS0 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL4025558 1.00 TACR2 (0.45) TACR2TACR1TACR3ALDH1A1S1PR1
SCHEMBL14484758 0.94 TACR2 (0.39) TACR2TACR1TACR3S1PR1S1PR3
SCHEMBL14485552 0.93 TACR2 (0.38) TACR2TACR1TACR3ALDH1A1P2RX7
SCHEMBL6603926 0.91 TACR2 (0.39) TACR2TACR1TACR3PTGFR
SCHEMBL14485288 0.91 TACR2 (0.38) TACR2TACR1TACR3S1PR1S1PR3
SCHEMBL6605525 0.91 TACR2 (0.37) TACR2TACR1TACR3P2RX7PTGFR
SCHEMBL14144503 0.90 TACR2 (0.41) TACR2TACR1TACR3S1PR1S1PR3
SCHEMBL14484786 0.90 TACR2 (0.37) TACR2TACR1TACR3S1PR1S1PR3
SCHEMBL14485492 0.89 TACR2 (0.36) TACR2TACR1TACR3S1PR1S1PR3
SCHEMBL14484775 0.88 TACR2 (0.36) TACR2TACR1TACR3S1PR1S1PR3

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
EP-1345899-B1 N-substituted amides as NK1 receptor antagonists ASTRAZENECA AB (SE) 2009-01-14 EP disclosed
US-7064136-B2 Compounds ASTRAZENECA AB (SE) 2006-06-20 US disclosed
US-20040058916-A1 Compounds ASTRAZENECA AB (SE) 2004-03-25 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-20040058916-A1 Compounds CYP11B2, CYP11B1, PCSK9 TACR2 2202/4885TACR1 1821/4885TACR3 4019/4885

“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.