SCHEMBL737003

SCHEMBL737003

CC(C)N1CCC(Oc2ccc(N)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.68

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
SCHEMBL19633495 0.88 HRH3 (0.66) HRH3
SCHEMBL16823278 0.87 HRH3 (0.52) HRH3
SCHEMBL12030651 0.86 HRH3 (0.68) HRH3
SCHEMBL12499576 0.85 HRH3 (0.66) HRH3
SCHEMBL14423906 0.85 HRH3 (0.66) HRH3
SCHEMBL10057696 0.85 HRH3 (0.66) HRH3
SCHEMBL3309280 0.85 HRH3 (0.66) HRH3
SCHEMBL8025279 0.84 HRH3 (0.69) HRH3
SCHEMBL14609290 0.83 HRH3 (0.71) HRH3
SCHEMBL5206162 0.82 HRH3 (0.67) HRH3

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217201-A2 NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF 杭州德睿智药科技有限公司 2023-11-16 WO disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 EP disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
EP-2261223-A1 Pyrimidine derivatives used as pi-3 kinase inhibitors Novartis AG (CH) 2010-12-15 EP disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1984350-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS Novartis AG (CH) 2008-10-29 EP disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 WO disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 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 (3 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 HRH3 2/4885
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB HRH3 2621/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB HRH3 2561/4885

“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.