SCHEMBL21625702

SCHEMBL21625702

CCN(CC)CCOc1ccc(-c2ccc(C(=O)NC(C)C)s2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 11/20 0.51
▸ ACHE P22303 3/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ HTR2C P28335 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ BIRC5 O15392 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ GRK5 P34947 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ GSK3A P49840 1/20 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
Hydrochloric Acid SCHEMBL21625731 0.99 MCHR1 (0.50) MCHR1ACHEHRH3BCHEHTR2C
SCHEMBL21637512 0.89 MCHR1 (0.43) MCHR1ACHEHRH3BCHEHTR2C
SCHEMBL21625717 0.88 MCHR1 (0.51) MCHR1ACHEBCHEHTR2CPOLB
Hydrochloric Acid SCHEMBL21625708 0.87 MCHR1 (0.50) MCHR1ACHEBCHEPOLB
SCHEMBL21625706 0.87 MCHR1 (0.47) MCHR1HTR2C
Hydrochloric Acid SCHEMBL21625704 0.86 MCHR1 (0.46) MCHR1HTR2C
SCHEMBL23983050 0.85 POLB (0.49) MCHR1ACHEBCHEPOLB
Hydrochloric Acid SCHEMBL21625700 0.85 POLB (0.49) MCHR1POLB
SCHEMBL18573543 0.84 KDM4E (0.52) KDM4EPOLBMAPTATMRXFP1
SCHEMBL30501703 0.84 KDM4E (0.52) KDM4EPOLBMAPTATMRXFP1

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
US-20210340119-A1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HEXAPHARMATEC CO., LTD. (KR) 2021-11-04 — — US disclosed
US-20210340119-A1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HEXAPHARMATEC CO., LTD. (KR) 2021-11-04 — — US disclosed
EP-3814340-A1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Hexapharmatec Co., Ltd. (KR) 2021-05-05 — — EP disclosed
WO-2020017878-A1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HEXAPHARMATEC CO., LTD. (KR) 2020-01-23 — — WO disclosed
WO-2020017878-A1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HEXAPHARMATEC CO., LTD. (KR) 2020-01-23 — — 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-20210340119-A1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME COMT, TYR, REN MCHR1 745/4885ACHE 691/4885HRH3 1267/4885

“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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