SCHEMBL20868501

SCHEMBL20868501

CCOC(=O)c1sc(-c2cnc(N3CCN(CCCc4c[nH]c5ccc(C#N)cc45)CC3)nc2)nc1C

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.77
SLC6A4 P31645 3/20 0.59

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
SCHEMBL20868146 0.98 HTR1A (0.77) HTR1ASLC6A4
SCHEMBL20868402 0.91 HTR1A (0.76) HTR1ASLC6A4
SCHEMBL20868349 0.89 HTR1A (0.76) HTR1ASLC6A4
SCHEMBL27110311 0.89 HTR1A (0.67) HTR1ASLC6A4
SCHEMBL27110024 0.88 HTR1A (0.62) HTR1ASLC6A4
SCHEMBL16433314 0.87 HTR1A (1.00) HTR1A
SCHEMBL16433155 0.85 HTR1A (1.00) HTR1A
SCHEMBL22386619 0.85 HTR1A (0.64) HTR1ASLC6A4
SCHEMBL22371658 0.84 HTR1A (0.61) HTR1ASLC6A4
SCHEMBL17249675 0.83 HTR1A (0.76) HTR1A

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 13/4885
US-11285153-B2 Substituted pyrimidine piperazine compound and use thereof HTR5A, TPH1, HTR2C HTR1A 5/4885SLC6A4 13/4885

“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.