SCHEMBL29327276

SCHEMBL29327276

C[C@@H]1CNC[C@H](C)N1c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.41
HTR2A P28223 18/20 0.41
HTR2B P41595 18/20 0.41
KCNH2 Q12809 2/20 0.37
ACVR1 Q04771 1/20 0.36

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
SCHEMBL26948157 0.82 HTR2A (0.50) HTR2CHTR2AHTR2BKCNH2ACVR1
SCHEMBL29327433 0.80 HTR2A (0.43) HTR2CHTR2AHTR2BKCNH2
SCHEMBL21876550 0.80 HTR2A (0.43) HTR2CHTR2AHTR2BKCNH2ACVR1
SCHEMBL20421709 0.80 HTR2A (0.41) HTR2CHTR2AHTR2BKCNH2ACVR1
SCHEMBL30179232 0.80 HTR2A (0.43) HTR2CHTR2AHTR2BKCNH2ACVR1
SCHEMBL29327423 0.79 HTR2A (0.39) HTR2CHTR2AHTR2BKCNH2
SCHEMBL29327306 0.79 HTR2C (0.51) HTR2CHTR2AHTR2BKCNH2ACVR1
SCHEMBL27777689 0.79 HTR2C (0.51) HTR2CHTR2AHTR2BKCNH2ACVR1
SCHEMBL29327284 0.78 HTR2C (0.50) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL18043605 0.78 HTR2C (0.50) HTR2CHTR2AHTR2BKCNH2ACVR1

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 HTR2C 491/4885HTR2A 774/4885HTR2B 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.