SCHEMBL29327306

SCHEMBL29327306

C[C@@H]1CNC[C@H](C)N1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.51
HTR2A P28223 13/20 0.51
HTR2B P41595 13/20 0.51
BPTF Q12830 1/20 0.48
GAA P10253 1/20 0.40
G6PD P11413 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.40
KCNH2 Q12809 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
BMPR1B O00238 2/20 0.39
BMPR1A P36894 2/20 0.39
ACVR1B P36896 2/20 0.39
ACVRL1 P37023 2/20 0.39

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
SCHEMBL27777689 1.00 HTR2C (0.51) HTR2CHTR2AHTR2BBPTFGAA
Hydrochloric Acid SCHEMBL18043605 0.98 HTR2C (0.50) HTR2CHTR2AHTR2BBPTFGAA
SCHEMBL26948157 0.81 HTR2A (0.50) HTR2CHTR2AHTR2BKCNH2ADRB1
SCHEMBL6864210 0.79 FFAR1 (0.41) GAAG6PDL3MBTL1ALOX5
SCHEMBL6864215 0.79 FFAR1 (0.41) GAAG6PDL3MBTL1ALOX5
SCHEMBL29327433 0.79 HTR2A (0.43) HTR2CHTR2AHTR2BKCNH2HTR3E
SCHEMBL21876550 0.79 HTR2A (0.43) HTR2CHTR2AHTR2BKCNH2ACVR1
SCHEMBL25506008 0.79 ADRB2 (0.42) HTR2CHTR2AHTR2BKCNH2
SCHEMBL29327276 0.79 HTR2C (0.41) HTR2CHTR2AHTR2BKCNH2ACVR1
SCHEMBL30179232 0.79 HTR2A (0.43) 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.