SCHEMBL3138313

SCHEMBL3138313

CO[C@@H]1CN(C)CC[C@H]1NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
ABCC2 Q92887 1/20 0.38
SSTR4 P31391 1/20 0.34

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
SCHEMBL3138318 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ABCC2SSTR4
SCHEMBL12304478 0.83 HTR4 (0.36) SLC6A2SLC6A4SLC6A3SSTR4
SCHEMBL17355074 0.83 SSTR4 (0.37) SLC6A2SLC6A4SLC6A3SSTR4
SCHEMBL20069527 0.80 CTSK (0.44) SSTR4
SCHEMBL20069521 0.80 OPRK1 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL12135069 0.80 CTSK (0.44) SSTR4
SCHEMBL3353548 0.80 HTR4 (0.41) SLC6A4
SCHEMBL3383116 0.80 HTR4 (0.41) SLC6A4
SCHEMBL3355851 0.80 HTR4 (0.41) SLC6A4
SCHEMBL3355844 0.80 HTR4 (0.41) SLC6A4

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
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
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-20140371205-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-18 US disclosed
WO-2010058032-A2 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 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-20140371205-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER TYMP, HPRT1, TYMS SLC6A2 1588/4885SLC6A4 2391/4885SLC6A3 2726/4885
US-20160362404-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 SLC6A2 2398/4885SLC6A4 3178/4885SLC6A3 2227/4885

“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.