SCHEMBL20868249

SCHEMBL20868249

CCOC(=O)c1oc(-c2cnc(N3CCN(CCCCc4c[nH]c5ccc(C#N)cc45)CC3)nc2)nc1C

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.65
SLC6A4 P31645 4/20 0.62
ADRA2A P08913 1/20 0.52
DRD2 P14416 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
SLC6A2 P23975 1/20 0.52
ADRA1D P25100 1/20 0.52
HTR7 P34969 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL22386619 0.98 HTR1A (0.64) HTR1ASLC6A4
SCHEMBL20868495 0.91 SLC6A4 (0.70) HTR1ASLC6A4ADRA2ADRD2ADRA2B
SCHEMBL20868395 0.89 SLC6A4 (0.67) HTR1ASLC6A4ADRA2ADRD2ADRA2B
SCHEMBL20868146 0.85 HTR1A (0.77) HTR1ASLC6A4
SCHEMBL22371677 0.84 SLC6A4 (0.63) HTR1ASLC6A4
SCHEMBL20868501 0.83 HTR1A (0.77) HTR1ASLC6A4
SCHEMBL27110354 0.82 SLC6A4 (0.56) HTR1ASLC6A4ADRA2AADRA2BADRA2C
SCHEMBL22386616 0.81 HTR1A (0.47) HTR1ASLC6A4ADRA2ADRD2ADRA2B
SCHEMBL16433155 0.79 HTR1A (1.00) HTR1A
SCHEMBL20868349 0.79 HTR1A (0.76) HTR1ASLC6A4

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-3687989-B1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2024-02-28 EP disclosed
EP-3687989-B1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2024-02-28 EP disclosed
US-11285153-B2 Substituted pyrimidine piperazine compound and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-03-29 US disclosed
US-20200276196-A1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-09-03 US disclosed
US-20200276196-A1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-09-03 US disclosed
WO-2019062662-A1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-04-04 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-20200276196-A1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF HTR5A, TPH1, HTR2C HTR1A 5/4885SLC6A4 13/4885ADRA2A 178/4885
US-11285153-B2 Substituted pyrimidine piperazine compound and use thereof HTR5A, TPH1, HTR2C HTR1A 5/4885SLC6A4 13/4885ADRA2A 178/4885

“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.