SCHEMBL5471689

SCHEMBL5471689

CCCN1CCC([O])CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
SLC6A4 P31645 3/20 0.41
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL9925579 0.79 DRD2 (0.48) DRD2GNAI3GNAO1GNAI1SLC6A4
SCHEMBL1290932 0.79 CARM1 (0.58) DRD2
SCHEMBL19501243 0.79 GNAI3 (0.55) DRD2GNAI3GNAO1GNAI1SLC6A4
SCHEMBL1814303 0.78
SCHEMBL10076885 0.77 DRD2 (0.47) DRD2GNAI3GNAO1GNAI1SLC6A4
SCHEMBL471116 0.77 GNAI3 (0.48) DRD2SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL1886436 0.77 DRD2 (0.47) DRD2SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL7220679 0.77 GNAI3 (0.67) DRD2GNAI3GNAO1GNAI1SLC6A4
SCHEMBL19605702 0.77 DRD2 (0.47) DRD2SMN1; SMN2GNAI3GNAO1GNAI1
Ammonia Solution, Strong SCHEMBL1492475 0.77 CARM1 (0.56) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846827-B1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-01-25 US claimed
EP-1226126-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2005-01-05 EP claimed
EP-1226126-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2002-07-31 EP claimed
WO-2001027089-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-19 WO claimed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
US-6846827-B1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-01-25 US disclosed
EP-1226126-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2005-01-05 EP disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
EP-1226126-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2002-07-31 EP disclosed
WO-2001027089-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-19 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 (4 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 DRD2 825/4885SMN1; SMN2 4731/4885GNAI3 680/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 DRD2 894/4885SMN1; SMN2 4856/4885GNAI3 707/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 DRD2 825/4885SMN1; SMN2 4731/4885GNAI3 680/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 DRD2 894/4885SMN1; SMN2 4856/4885GNAI3 707/4885

“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.