SCHEMBL25003053

SCHEMBL25003053

O=C1Nc2cc(OCCCCN3CCN(c4cccc5sccc45)CC3)ccc2C2CC12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.65
ADRB2 P07550 1/20 0.65
ADRB1 P08588 1/20 0.65
HTR1A P08908 1/20 0.65
ADRA2A P08913 1/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
DRD1 P21728 1/20 0.65
DRD4 P21917 1/20 0.65
DRD5 P21918 1/20 0.65
SLC6A2 P23975 1/20 0.65
ADRA1D P25100 1/20 0.65
HTR1D P28221 1/20 0.65
HTR1B P28222 1/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
HTR1E P28566 1/20 0.65
SLC6A4 P31645 1/20 0.65
GPR183 P32249 1/20 0.65
HTR7 P34969 1/20 0.65

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
SCHEMBL19888525 0.90 DRD2 (0.67) DRD2ADRB2ADRB1HTR1AADRA2A
SCHEMBL4302769 0.88 HTR1A (0.65) DRD2ADRB2ADRB1HTR1AADRA2A
SCHEMBL4302011 0.88 HTR1A (0.65) DRD2ADRB2ADRB1HTR1AADRA2A
SCHEMBL25003051 0.87 DRD2 (0.49) DRD2ADRB2ADRB1HTR1AADRA2A
SCHEMBL25003022 0.86 DRD2 (0.53) DRD2ADRB2ADRB1HTR1AADRA2A
SCHEMBL1037444 0.86 DRD2 (0.64) DRD2ADRB2ADRB1HTR1AADRA2A
SCHEMBL25003006 0.84 DRD2 (0.65) DRD2ADRB2ADRB1HTR1AADRA2A
SCHEMBL30839773 0.84 DRD2 (0.65) DRD2ADRB2ADRB1HTR1AADRA2A
SCHEMBL25003066 0.84 DRD2 (0.69) DRD2ADRB2ADRB1HTR1AADRA2A
SCHEMBL30839790 0.84 DRD2 (0.69) DRD2ADRB2ADRB1HTR1AADRA2A

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
US-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHUJING BIOPHARMA CO., LTD (CN) 2024-11-07 US disclosed
EP-4382521-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shujing Biopharma Co., Ltd (CN) 2024-06-12 EP disclosed
CN-117769545-A Tri-fused ring derivative-containing regulator, preparation method and application thereof 上海枢境生物科技有限公司 2024-03-26 CN disclosed
WO-2023011608-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海枢境生物科技有限公司 2023-02-09 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-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TPH1, TPH2, GAP43 DRD2 327/4885ADRB2 16/4885ADRB1 10/4885

“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.