SCHEMBL1355857

SCHEMBL1355857

CO[C@H]1CN(C)CC[C@H]1N

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.37
MRGPRX2 Q96LB1 1/20 0.33
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 4/20 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
SCHEMBL14888163 1.00 NCF1 (0.37) NCF1MRGPRX2SLC6A2SLC6A4SLC6A3
SCHEMBL14386288 1.00 NCF1 (0.37) NCF1MRGPRX2SLC6A2SLC6A4SLC6A3
SCHEMBL13354978 1.00 NCF1 (0.37) NCF1MRGPRX2SLC6A2SLC6A4SLC6A3
SCHEMBL1355855 1.00 NCF1 (0.37) NCF1MRGPRX2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL14311930 0.98 NCF1 (0.35) NCF1MRGPRX2SLC6A2SLC6A4SLC6A3
SCHEMBL23865787 0.83 NCF1 (0.37) NCF1MRGPRX2SLC6A2SLC6A4SLC6A3
SCHEMBL18968298 0.83 NCF1 (0.37) NCF1MRGPRX2SLC6A2SLC6A4SLC6A3
SCHEMBL18968114 0.83 NCF1 (0.37) NCF1MRGPRX2SLC6A2SLC6A4SLC6A3
SCHEMBL18968300 0.83 NCF1 (0.37) NCF1MRGPRX2SLC6A2SLC6A4SLC6A3
SCHEMBL18968080 0.83 NCF1 (0.37) NCF1MRGPRX2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367800-B9 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER IPHARMA H K LTD (HK) 2021-10-20 EP disclosed
EP-2367800-B1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INT (DE) 2018-02-28 EP disclosed
WO-2018013676-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2018-01-18 WO disclosed
US-9676762-B2 Pyrimidine compounds containing seven-membered fused ring systems BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-20160362404-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-15 US disclosed
US-20150376141-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2015-12-31 US disclosed
US-20140371205-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-18 US disclosed
US-8846689-B2 Substituted pyrimidines for the treatment of diseases such as cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 US disclosed
US-20110288071-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 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-20140371205-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER TYMP, HPRT1, TYMS NCF1 1315/4885MRGPRX2 1152/4885SLC6A2 1588/4885
US-20160362404-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 NCF1 859/4885MRGPRX2 64/4885SLC6A2 2398/4885
US-20150376141-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 NCF1 449/4885MRGPRX2 105/4885SLC6A2 2375/4885
US-20110288071-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER TYMP, HPRT1, TYMS NCF1 1315/4885MRGPRX2 1152/4885SLC6A2 1588/4885

“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.