SCHEMBL31377643

SCHEMBL31377643

OCc1cc2c(Br)cccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.52
SLC9A1 P19634 2/20 0.45
PTPN2 P17706 1/20 0.36
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CA2 P00918 1/20 0.34
SLC22A12 Q96S37 2/20 0.34
CTRC Q99895 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL1851165 1.00 CYP2A6 (0.52) CYP2A6SLC9A1PTPN2ICAM1SELE
SCHEMBL31589064 0.83 SLC9A1 (0.43) CYP2A6SLC9A1MAOAMAOBCA2
SCHEMBL2089632 0.81 SLC9A1 (0.45) CYP2A6SLC9A1MAOAMAOBCA2
SCHEMBL717886 0.79 CYP2A6 (0.53) CYP2A6SLC9A1ICAM1SELESLC22A12
SCHEMBL27293788 0.79 CYP2A6 (0.53) CYP2A6ICAM1SELEMAOAMAOB
SCHEMBL29058591 0.78 CYP2A6 (0.52) CYP2A6SLC9A1ICAM1SELEMAOB
SCHEMBL27575951 0.75 ALDH1A1 (0.50) SLC9A1MAOAMAOBCA2HDAC3
SCHEMBL28205208 0.74 SLC9A1 (0.47) SLC9A1MAOAMAOBCA2HDAC3
SCHEMBL1745259 0.74 SLC9A1 (0.50) CYP2A6SLC9A1PTPN2ICAM1SELE
SCHEMBL5555026 0.73 ICAM1 (0.50) CYP2A6PTPN2ICAM1SELESLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743174-A1 MODULATORS OF CALCITONIN RECEPTOR AND/OR AMYLIN RECEPTOR ACTIVITY Aconcagua Bio, Inc. (US) 2026-05-20 EP disclosed
US-20250179055-A1 Substituted 2-(pyrrolidine-3-yl)acetic acid derivative, preparation method and use thereof INNOVSTONE THERAPEUTICS LIMITED (CN) 2025-06-05 US disclosed
WO-2025103442-A1 SUBSTITUTED 2-(PYRROLIDIN-3-YL)ACETIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2025-05-22 WO disclosed
US-20250042916-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ACONCAGUA BIO, INC. 2025-02-06 US disclosed
WO-2025015268-A1 MODULATORS OF CALCITONIN RECEPTOR AND/OR AMYLIN RECEPTOR ACTIVITY ACONCAGUA BIO, INC. (US) 2025-01-16 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 (2 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-20250179055-A1 Substituted 2-(pyrrolidine-3-yl)acetic acid derivative, preparation method and use thereof PCSK9, LPL, LYPLA1 CYP2A6 1329/4885SLC9A1 1728/4885PTPN2 1012/4885
US-20250042916-A1 COMPOUNDS, COMPOSITIONS, AND METHODS IAPP, GIPR, GPR119 CYP2A6 3708/4885SLC9A1 2258/4885PTPN2 1694/4885

“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.