SCHEMBL21625723

SCHEMBL21625723

CCN(CC)CCNC(=O)c1ccc(-c2ccc(O)c(OC)c2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.51
▸ HSD17B2 P37059 1/20 0.51
▸ CHEK1 O14757 2/20 0.49
▸ ACKR3 P25106 4/20 0.48
▸ TMEM97 Q5BJF2 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ LMNA P02545 4/20 0.46
▸ ADRA2A P08913 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ DRD3 P35462 3/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ STAT6 P42226 1/20 0.46
▸ BLM P54132 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ HTR3E A5X5Y0 1/20 0.44

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
SCHEMBL30977656 1.00 HSD17B1 (0.51) HSD17B1HSD17B2CHEK1ACKR3TMEM97
Hydrochloric Acid SCHEMBL30977641 0.99 HSD17B1 (0.50) HSD17B1HSD17B2CHEK1ACKR3TMEM97
Hydrochloric Acid SCHEMBL21625739 0.99 HSD17B1 (0.50) HSD17B1HSD17B2CHEK1ACKR3TMEM97
SCHEMBL21625732 0.89 HSD17B1 (0.53) HSD17B1HSD17B2CHEK1ACKR3HTR2C
SCHEMBL30977651 0.89 HSD17B1 (0.53) HSD17B1HSD17B2CHEK1ACKR3HTR2C
Hydrochloric Acid SCHEMBL21625719 0.88 HSD17B1 (0.52) HSD17B1HSD17B2CHEK1ACKR3
Hydrochloric Acid SCHEMBL30977644 0.88 HSD17B1 (0.52) HSD17B1HSD17B2CHEK1ACKR3
SCHEMBL21625717 0.87 MCHR1 (0.51) ACKR3TMEM97SIGMAR1LMNAADRA2A
SCHEMBL21625714 0.86 HSD17B1 (0.50) HSD17B1HSD17B2ACKR3LMNAALDH1A1
SCHEMBL30977647 0.86 HSD17B1 (0.50) HSD17B1HSD17B2ACKR3LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814340-B1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HEXAPHARMATEC CO LTD (KR) 2024-12-18 — — EP disclosed
US-12110281-B2 Catechol derivatives or salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same HEXAPHARMATEC CO., LTD. (KR) 2024-10-08 — — US disclosed
CN-112437773-B Catechol derivatives or salts thereof, process for preparing the same and pharmaceutical compositions containing the same 六合医药科技有限公司 2024-06-11 — — CN 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
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
CN-112437773-A Novel catechol derivative or salt thereof, method for producing the same, and pharmaceutical composition containing the same 六合医药科技有限公司 2021-03-02 — — CN 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 (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-12110281-B2 Catechol derivatives or salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same COMT, TYR, REN HSD17B1 1028/4885HSD17B2 744/4885CHEK1 3870/4885
US-20210340119-A1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME COMT, TYR, REN HSD17B1 1260/4885HSD17B2 911/4885CHEK1 3815/4885

“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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