SCHEMBL29327209

SCHEMBL29327209

CC(C)(C)N1C[C@@H](C(=O)O)[C@H](c2ccc(Br)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.41
▸ TLR2 O60603 1/20 0.38
▸ TLR1 Q15399 1/20 0.38
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ PRCP P42785 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GMNN O75496 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FFAR1 O14842 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
SCHEMBL29327210 1.00 RORC (0.42) RORCHRH3TLR2TLR1SLC6A2
SCHEMBL21029282 1.00 RORC (0.42) RORCHRH3TLR2TLR1SLC6A2
SCHEMBL7027450 0.86 HRH3 (0.54) HRH3TLR2TLR1SLC6A2SLC6A4
SCHEMBL5729817 0.85 MC4R (0.44) HRH3PRCPMC4RALDH1A1
SCHEMBL2306660 0.85 MEN1 (0.46) MC4RALDH1A1KMT2A
SCHEMBL2304570 0.85 MEN1 (0.46) MC4RALDH1A1KMT2A
SCHEMBL5729813 0.85 MC4R (0.44) HRH3PRCPMC4RALDH1A1
SCHEMBL29327225 0.85 MEN1 (0.46) MC4RALDH1A1KMT2A
SCHEMBL2304994 0.85 MEN1 (0.46) MC4RALDH1A1KMT2A
SCHEMBL15252919 0.85 MEN1 (0.46) MC4RALDH1A1KMT2A

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 RORC 778/4885HRH3 1543/4885TLR2 2029/4885

“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.

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