SCHEMBL1885940

SCHEMBL1885940

CN(C)C(=O)C1CCCN1CCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
OPRD1 P41143 2/20 0.41
BCHE P06276 3/20 0.40
NR1I2 O75469 1/20 0.39
KCNH2 Q12809 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 1/20 0.34
CASP3 P42574 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.32
KCNK3 O14649 1/20 0.32
LMNA P02545 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
OPRL1 P41146 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
SCHEMBL1885938 1.00 HTT (0.41) HTTOPRD1BCHENR1I2KCNH2
SCHEMBL4497813 0.90 HTT (0.49) HTTOPRD1BCHENR1I2KCNH2
SCHEMBL5622831 0.90 HTT (0.49) HTTOPRD1BCHENR1I2KCNH2
SCHEMBL16511104 0.87 NR1I2 (0.51) OPRD1BCHENR1I2KCNH2CYP3A4
SCHEMBL13316309 0.86 BCHE (0.40) HTTBCHENR1I2KCNH2CYP3A4
SCHEMBL13543109 0.86 BCHE (0.40) HTTBCHENR1I2KCNH2CYP3A4
SCHEMBL1885419 0.84 BCHE (0.44) HTTOPRD1BCHENR1I2KCNH2
SCHEMBL1885421 0.84 BCHE (0.44) HTTOPRD1BCHENR1I2KCNH2
SCHEMBL4497811 0.83 BCHE (0.39) HTTBCHENR1I2KCNH2CYP3A4
SCHEMBL12847055 0.83 BCHE (0.46) HTTBCHENR1I2KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42353-E1 Quinazoline derivatives and pharmaceutical compositions containing them ASTRAZENECA UK LIMITED (GB) 2011-05-10 US disclosed
US-20050239777-A1 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA PHARMA S.A. (FR) 2005-10-27 US disclosed
US-6897210-B2 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 2005-05-24 US disclosed
US-20040242574-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED 2004-12-02 US disclosed
WO-2001094341-A9 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2003-04-17 WO disclosed
EP-1292594-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AstraZeneca AB (SE) 2003-03-19 EP disclosed
US-6414148-B1 PRODUCE ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT IN WARM-BLOODED ANIMALS ZENECA LIMITED (GB) 2002-07-02 US disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 WO disclosed
EP-0929530-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1999-07-21 EP disclosed
WO-1998013354-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-04-02 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 (2 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-20040242574-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, FLT1, NR5A1 HTT 895/4885OPRD1 433/4885BCHE 3872/4885
US-20050239777-A1 Quinazoline derivatives and pharmaceutical compositions containing them NR5A1, NR5A2, CNKSR1 HTT 1545/4885OPRD1 158/4885BCHE 3909/4885

“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.