SCHEMBL6605525

SCHEMBL6605525

CC(C)(C)[Si](C)(C)OCC[C@H](CNC(=O)c1c(O)c(C#N)cc2ccccc12)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.37
TACR1 P25103 3/20 0.37
TACR3 P29371 3/20 0.37
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PTGFR P43088 15/20 0.33
P2RX7 Q99572 1/20 0.32
TBXA2R P21731 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
SCHEMBL4025552 0.91 TACR2 (0.45) TACR2TACR1TACR3EGLN2EGLN1
SCHEMBL4025558 0.91 TACR2 (0.45) TACR2TACR1TACR3EGLN2EGLN1
SCHEMBL14484758 0.89 TACR2 (0.39) TACR2TACR1TACR3PTGFR
SCHEMBL14485288 0.88 TACR2 (0.38) TACR2TACR1TACR3EGLN2EGLN1
SCHEMBL6603926 0.88 TACR2 (0.39) TACR2TACR1TACR3PTGFRTBXA2R
SCHEMBL14144503 0.87 TACR2 (0.41) TACR2TACR1TACR3EGLN2EGLN1
SCHEMBL14484786 0.86 TACR2 (0.37) TACR2TACR1TACR3PTGFRP2RX7
SCHEMBL14485492 0.86 TACR2 (0.36) TACR2TACR1TACR3PTGFR
SCHEMBL14484775 0.85 TACR2 (0.36) TACR2TACR1TACR3PTGFR
SCHEMBL14485552 0.84 TACR2 (0.38) TACR2TACR1TACR3PTGFRP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 US disclosed
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 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-20070021406-A1 New neurokinin antagonists for use as medicaments NPSR1, HRH4, OPRL1 TACR2 27/4885TACR1 12/4885TACR3 117/4885

“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.