SCHEMBL29327423

SCHEMBL29327423

C[C@@H]1CNC[C@H](C)N1c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.39
HTR2C P28335 13/20 0.39
HTR2B P41595 13/20 0.39
TSHR P16473 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
BPTF Q12830 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL29327276 0.79 HTR2C (0.41) HTR2AHTR2CHTR2BKCNH2
SCHEMBL29327284 0.77 HTR2C (0.50) HTR2AHTR2CHTR2BCHRNB2CHRNB4
SCHEMBL5632465 0.77 RAD52 (0.49) HTR2AHTR2CHTR2BADAMTS5
SCHEMBL5630960 0.77 RAD52 (0.49) HTR2AHTR2CHTR2BADAMTS5
SCHEMBL5630952 0.77 RAD52 (0.49) HTR2AHTR2CHTR2BADAMTS5
Hydrochloric Acid SCHEMBL5631799 0.76 RAD52 (0.51) HTR2AHTR2CHTR2BADAMTS5
Hydrochloric Acid SCHEMBL5631792 0.76 RAD52 (0.51) HTR2AHTR2CHTR2BADAMTS5
SCHEMBL29327433 0.76 HTR2A (0.43) HTR2AHTR2CHTR2BKCNH2
SCHEMBL4939187 0.75 SLC6A2 (0.49) HTR2AHTR2CHTR2BKCNH2
SCHEMBL4939192 0.75 SLC6A2 (0.49) HTR2AHTR2CHTR2BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2024-07-18 US 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-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF AQP3, SLC6A7, ABCG2 HTR2A 774/4885HTR2C 491/4885HTR2B 1129/4885

“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.