SCHEMBL15515902

SCHEMBL15515902

CCOC(=O)[C@H]1NCCO[C@@H]1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
ARG1 P05089 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL15157454 1.00 TSHR (0.35) TSHRPPM1BPTPN1PPP1CCLMNA
Hydrochloric Acid SCHEMBL27628172 0.98 TSHR (0.34) TSHRPPM1BPTPN1PPP1CCLMNA
SCHEMBL9637134 0.82 ARG1 (0.36) TSHRPPM1BPTPN1PPP1CCLMNA
SCHEMBL27638808 0.81 ARG1 (0.33) PPM1BPTPN1PPP1CCARG1
SCHEMBL24524725 0.78 ALDH1A1 (0.40) PPM1BPTPN1PPP1CCLMNAALDH1A1
SCHEMBL23555976 0.78 ALDH1A1 (0.40) PPM1BPTPN1PPP1CCLMNAALDH1A1
SCHEMBL23555977 0.78 ALDH1A1 (0.40) PPM1BPTPN1PPP1CCLMNAALDH1A1
SCHEMBL17130935 0.75 TSHR (0.37) TSHRLMNAPOLBALDH1A1KDM4E
SCHEMBL17130910 0.75 TSHR (0.37) TSHRLMNAPOLBALDH1A1KDM4E
SCHEMBL2071540 0.74 SLC1A2 (0.47) ARG1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892893-B2 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-10-16 EP disclosed
EP-2892893-B1 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2016-12-21 EP disclosed
US-9447086-B2 6-amino acid heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-09-20 US disclosed
US-20160237078-A9 NOVEL 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-08-18 US disclosed
EP-2892893-A1 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F.HOFFMANN-LA ROCHE AG (CH) 2015-07-15 EP disclosed
US-20150031687-A1 Novel 6-amino acid heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-01-29 US disclosed
WO-2014037480-A1 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-03-13 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-20160237078-A9 NOVEL 6-AMINO ACID HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION CYP2B6, HAVCR2, CYP2D6 TSHR 2335/4885PPM1B 423/4885PTPN1 2088/4885
US-20150031687-A1 Novel 6-amino acid heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection CYP2B6, HAVCR2, CYP2D6 TSHR 2335/4885PPM1B 423/4885PTPN1 2088/4885

“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.