SCHEMBL5776703

SCHEMBL5776703

Cc1nccn1Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 7/20 0.46
▸ SCN9A Q15858 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ UCHL1 P09936 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ NR1H2 P55055 1/20 0.42
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ ACACB O00763 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39

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
SCHEMBL7107413 0.86 MC4R (0.37) —
SCHEMBL10289745 0.81 ESR2 (0.53) SCN9AMAPK1MAPTESR2UCHL1
SCHEMBL29554603 0.80 UCHL1 (0.53) P2RX3SCN9AMAPK1MAPTESR2
SCHEMBL5774734 0.80 UCHL1 (0.53) P2RX3SCN9AMAPK1MAPTESR2
SCHEMBL5778372 0.79 ESR2 (0.51) P2RX3SCN9AMAPK1MAPTESR2
SCHEMBL29421814 0.79 ESR2 (0.51) P2RX3SCN9AMAPK1MAPTESR2
SCHEMBL22530017 0.79 ESR2 (0.51) P2RX3SCN9AMAPK1MAPTESR2
SCHEMBL17687053 0.79 NR1H2 (0.53) SCN9AMAPK1MAPTESR2UCHL1
SCHEMBL30606082 0.79 NR1H2 (0.53) SCN9AMAPK1MAPTESR2UCHL1
SCHEMBL5776971 0.78 ESR2 (0.50) SCN9AMAPK1MAPTESR2UCHL1

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-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 — — EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 — — US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 — — 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 P2RX3 2301/4885SCN9A 744/4885MAPK1 2336/4885

“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.

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