SCHEMBL3332979

SCHEMBL3332979

C#CC1(N2CCCC2)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CYP2B6 P20813 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
PRCP P42785 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GRIN1 Q05586 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 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
SCHEMBL5231438 1.00 GRIN2D (0.33) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL11387617 0.82
SCHEMBL1742367 0.75 ALDH1A1 (0.39) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL8510561 0.75 ALDH1A1 (0.39) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL6208077 0.75 GRIN2D (0.33) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL26039054 0.75 ALDH1A1 (0.39) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL27003067 0.75 ALDH1A1 (0.39) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL9853482 0.73 ALDH1A1 (0.37) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL29587839 0.73 ALDH1A1 (0.37) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL3237003 0.72 ALDH1A1 (0.36) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018385-B1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2013-05-15 EP disclosed
US-8334378-B2 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-18 US disclosed
US-20100145041-A1 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-7691868-B2 N-{8-[2-chloro-5-(3-methylamino-prop-1-ynyl)-phenyl]-4,5-dihydro-thiazolo[4,5-h]quinazolin-2-yl}-acetamide; PI3-kinase modulators for the treatment of inflammatory or allergic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
EP-2018385-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 EP disclosed
WO-2007115929-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 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 (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-20100145041-A1 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same QDPR, NQO2, DHPS GRIN2D 2880/4885GRIN3B 3883/4885CYP2B6 218/4885
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE QDPR, NQO2, CYP3A4 GRIN2D 2219/4885GRIN3B 3424/4885CYP2B6 222/4885

“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.