SCHEMBL16845501

SCHEMBL16845501

CN1CC[C@@H](O)[C@H]1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
GAA P10253 1/20 0.32
EPHX1 P07099 1/20 0.30
BCHE P06276 1/20 0.30
CHRM1 P11229 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL26999736 1.00 SMN1; SMN2 (0.35) SMN1; SMN2PIK3CAPIK3CBGAAEPHX1
SCHEMBL4648895 0.82 TDP1 (0.36) SMN1; SMN2GBA1
SCHEMBL5076199 0.82 TDP1 (0.36) SMN1; SMN2GBA1
SCHEMBL4895931 0.82 TDP1 (0.36) SMN1; SMN2GBA1
SCHEMBL204261 0.82 TDP1 (0.36) SMN1; SMN2GBA1
SCHEMBL17795772 0.82 TDP1 (0.36) SMN1; SMN2GBA1
SCHEMBL21515903 0.80 GBA1 (0.31) GBA1
SCHEMBL21514826 0.80 GBA1 (0.31) GBA1
SCHEMBL10076954 0.80 GBA1 (0.31) GBA1
Hydrochloric Acid SCHEMBL143429 0.80 TDP1 (0.39) SMN1; SMN2GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083606-B1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA LP (US) 2020-10-28 EP disclosed
US-9745287-B2 Pyrimidines and use thereof PURDUE PHARMA L.P. (US) 2017-08-29 US disclosed
US-20160332992-A1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA L.P. 2016-11-17 US disclosed
WO-2015094443-A1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA L.P. (US) 2015-06-25 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 (1 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-20160332992-A1 PYRIMIDINES AND USE THEREOF ADORA2B, P2RX2, P2RX3 SMN1; SMN2 252/4885PIK3CA 2619/4885PIK3CB 3703/4885

“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.