SCHEMBL13853649

SCHEMBL13853649

CNC(=O)N1CCCC2(CN(C)CCC2O)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.35
VNN1 O95497 2/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CYP2D6 P10635 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP3A4 P08684 2/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL19199012 0.71
SCHEMBL19027686 0.70 POLB (0.52) POLBUSP2CYP2D6ALDH1A1CYP1A2
SCHEMBL21225975 0.69 GRM5 (0.50) POLBUSP2CYP2D6ALDH1A1CYP1A2
SCHEMBL17972969 0.68
SCHEMBL17035434 0.67 POLB (0.48) POLBUSP2VNN1CYP2D6ALDH1A1
SCHEMBL30728778 0.67 POLB (0.48) POLBUSP2VNN1CYP2D6ALDH1A1
SCHEMBL18151807 0.66 VNN1 (0.38) VNN1PDCD1CD274GRM5
SCHEMBL17972961 0.66 SLC6A2 (0.32)
SCHEMBL3284029 0.66
SCHEMBL1916982 0.66 SOS1 (0.33) CYP2D6ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA POLB 3740/4885USP2 4034/4885VNN1 4874/4885
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 POLB 3678/4885USP2 3611/4885VNN1 4814/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 POLB 3678/4885USP2 3611/4885VNN1 4814/4885
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB POLB 3665/4885USP2 3889/4885VNN1 4874/4885

“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.