SCHEMBL4234445

SCHEMBL4234445

CCN1CCN(c2nc(NC(C)(C)Cc3ccc(Cl)cc3)c3c(n2)C(=O)N(C(C)C)C3)CC1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 19/20 0.79
CYP2C9 P11712 3/20 0.79
TACR2 P21452 1/20 0.56

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
SCHEMBL3639160 0.89 P2RX3 (0.78) P2RX3CYP2C9TACR2
SCHEMBL3677062 0.88 P2RX3 (0.85) P2RX3CYP2C9TACR2
SCHEMBL4234342 0.88 P2RX3 (1.00) P2RX3CYP2C9TACR2
SCHEMBL3634888 0.88 P2RX3 (0.76) P2RX3CYP2C9TACR2
SCHEMBL4223768 0.87 P2RX3 (0.86) P2RX3CYP2C9TACR2
SCHEMBL3671818 0.87 P2RX3 (0.86) P2RX3CYP2C9TACR2
SCHEMBL3666327 0.87 P2RX3 (0.75) P2RX3CYP2C9TACR2
SCHEMBL3636550 0.87 P2RX3 (0.82) P2RX3CYP2C9TACR2
SCHEMBL3641791 0.87 P2RX3 (0.85) P2RX3CYP2C9TACR2
SCHEMBL4224897 0.85 P2RX3 (0.82) P2RX3CYP2C9TACR2

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-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US claimed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 P2RX3 53/4885CYP2C9 172/4885TACR2 158/4885

“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.