SCHEMBL21098564

SCHEMBL21098564

COc1cccc(N2CCNC[C@H]2C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.59
HTR2C P28335 9/20 0.48
HTR6 P50406 2/20 0.48
HTR2B P41595 4/20 0.47
HTR2A P28223 3/20 0.45
RAD52 P43351 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
EED O75530 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
HTR3A P46098 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL4272059 1.00 ADRB1 (0.59) ADRB1HTR2CHTR6HTR2BHTR2A
SCHEMBL19709299 0.86 ADRB1 (0.60) ADRB1HTR2CHTR6HTR2BHTR2A
SCHEMBL2005355 0.83 ADRB1 (0.56) ADRB1HTR2CHTR6HTR2BHTR2A
SCHEMBL23777830 0.82 ADRB1 (0.57) ADRB1HTR2CHTR6HTR2BHTR2A
SCHEMBL30996886 0.82 ADRB1 (0.57) ADRB1HTR2CHTR6HTR2BHTR2A
SCHEMBL23777738 0.82 ADRB1 (0.57) ADRB1HTR2CHTR6HTR2BHTR2A
SCHEMBL335553 0.82 ADRB1 (0.57) ADRB1HTR2CHTR6HTR2BHTR2A
SCHEMBL21098946 0.82 ADRB1 (0.55) ADRB1HTR2CHTR6HTR2BHTR2A
SCHEMBL21098945 0.82 ADRB1 (0.55) ADRB1HTR2CHTR6HTR2BHTR2A
SCHEMBL21098426 0.81 ADRB1 (0.54) ADRB1HTR2CHTR6HTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174270-B2 Crystal form of 3,4-dihydrothieno[3,2-d]pyrimidine compound and preparation method thereof PHAENO THERAPEUTICS CO., LTD. (CN) 2021-11-16 US disclosed
EP-3498715-B1 ANTI-HCMV VIRUS COMPOUND MEDSHINE DISCOVERY INC (CN) 2021-06-09 EP disclosed
US-20210024538-A1 Crystal Form of 3,4-Dihydrothieno[3,2-D]Pyrimidine Compound and Preparation Method Thereof PHAENO THERAPEUTICS CO., LTD. (CN) 2021-01-28 US disclosed
EP-3753942-A1 CRYSTAL FORM OF 3,4-DIHYDROTHIENO[3,2-D]PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR Medshine Discovery Inc. (CN) 2020-12-23 EP disclosed
US-10851112-B2 Anti-HCMV virus compound MEDSHINE DISCOVERY INC. (CN) 2020-12-01 US disclosed
WO-2019154192-A1 CRYSTAL FORM OF 3,4-DIHYDROTHIENO[3,2-D]PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR 南京明德新药研发股份有限公司 2019-08-15 WO disclosed
US-20190202838-A1 ANTI-HCMV VIRUS COMPOUND PHAENO THERAPEUTICS CO., LTD. (CN) 2019-07-04 US disclosed
EP-3498715-A1 ANTI-HCMV VIRUS COMPOUND Medshine Discovery Inc. (CN) 2019-06-19 EP 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-11174270-B2 Crystal form of 3,4-dihydrothieno[3,2-d]pyrimidine compound and preparation method thereof TYMP, TPMT, HELZ ADRB1 4455/4885HTR2C 1950/4885HTR6 1500/4885
US-20190202838-A1 ANTI-HCMV VIRUS COMPOUND RPL35, RPL5, RPL17 ADRB1 3842/4885HTR2C 4587/4885HTR6 2538/4885
US-10851112-B2 Anti-HCMV virus compound RPL35, RPL5, RPL17 ADRB1 3842/4885HTR2C 4587/4885HTR6 2538/4885
US-20210024538-A1 Crystal Form of 3,4-Dihydrothieno[3,2-D]Pyrimidine Compound and Preparation Method Thereof TYMP, TPMT, HELZ ADRB1 4455/4885HTR2C 1950/4885HTR6 1500/4885

“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.