SCHEMBL25433147

SCHEMBL25433147

COC(=O)CCCc1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
LMNA P02545 1/20 0.36
ROCK1 Q13464 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL10864 0.92 CXCR2 (0.44) CXCR2ALDH1A1HPGDTSHRCYP4F2
SCHEMBL30015929 0.92 CXCR2 (0.44) CXCR2ALDH1A1HPGDTSHRCYP4F2
SCHEMBL14656987 0.83 KDM4E (0.42) CXCR2ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL29973532 0.83 KDM4E (0.42) CXCR2ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL29107963 0.81 CYSLTR2 (0.44) CXCR2MAPTSMN1; SMN2
SCHEMBL17939913 0.80 CXCR2 (0.40) CXCR2ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL28582570 0.80 ALDH1A1 (0.40) ALDH1A1HPGDMAPTTSHRCYP4F2
SCHEMBL902458 0.79 LIPG (0.49) CXCR2ALDH1A1MAPTPOLBTHRB
SCHEMBL12215762 0.79 CYP4F2 (0.56) CXCR2ALDH1A1MAPTCYP4F2CYP4A11
SCHEMBL29457774 0.79 CXCR2 (0.40) CXCR2ROCK1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023232966-A1 MACROCYCLIC OREXIN RECEPTOR AGONISTS AND USES THEREOF JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-12-07 WO disclosed
US-20230331720-A1 MEDIUM- OR MACRO-CYCLIC BENZYL-SUBSTITUTED HETEROCYCLE DERIVATIVES AND THEIR USES AS OREXIN-2 RECEPTOR AGONISTS OXFORD FINANCE LLC 2023-10-19 US disclosed
US-20230331720-A1 MEDIUM- OR MACRO-CYCLIC BENZYL-SUBSTITUTED HETEROCYCLE DERIVATIVES AND THEIR USES AS OREXIN-2 RECEPTOR AGONISTS OXFORD FINANCE LLC 2023-10-19 US disclosed
US-20230331720-A1 MEDIUM- OR MACRO-CYCLIC BENZYL-SUBSTITUTED HETEROCYCLE DERIVATIVES AND THEIR USES AS OREXIN-2 RECEPTOR AGONISTS OXFORD FINANCE LLC 2023-10-19 US disclosed
CN-116635393-A Heterocyclic derivatives substituted with a middle or macrocyclic benzyl group and their use as orexin-2 receptor agonists 欧瑞夏治疗有限公司 2023-08-22 CN disclosed
EP-4208465-A1 MEDIUM- OR MACRO-CYCLIC BENZYL-SUBSTITUTED HETEROCYCLE DERIVATIVES AND THEIR USES AS OREXIN-2 RECEPTOR AGONISTS Orexia Therapeutics Limited (GB) 2023-07-12 EP disclosed
WO-2022051583-A1 MEDIUM- OR MACRO-CYCLIC BENZYL-SUBSTITUTED HETEROCYCLE DERIVATIVES AND THEIR USES AS OREXIN-2 RECEPTOR AGONISTS OREXIA THERAPEUTICS LIMITED (GB) 2022-03-10 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 (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-20230331720-A1 MEDIUM- OR MACRO-CYCLIC BENZYL-SUBSTITUTED HETEROCYCLE DERIVATIVES AND THEIR USES AS OREXIN-2 RECEPTOR AGONISTS HCRTR2, HCRTR1, CRHR2 CXCR2 495/4885ALDH1A1 4091/4885HPGD 2025/4885

“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.