SCHEMBL23983050

SCHEMBL23983050

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ RAD52 P43351 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MCHR1 Q99705 5/20 0.48
▸ AKT3 Q9Y243 1/20 0.45
▸ ACKR3 P25106 4/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.43
▸ TLR8 Q9NR97 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ DRD3 P35462 1/20 0.42

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 SCHEMBL21625700 0.99 POLB (0.49) POLBRAD52KMT2ASMN1; SMN2MCHR1
SCHEMBL21625717 0.95 MCHR1 (0.51) POLBRAD52KMT2ASMN1; SMN2MCHR1
Hydrochloric Acid SCHEMBL21625708 0.94 MCHR1 (0.50) POLBRAD52KMT2ASMN1; SMN2MCHR1
SCHEMBL21625706 0.90 MCHR1 (0.47) MCHR1ACKR3TMEM97SIGMAR1LMNA
Hydrochloric Acid SCHEMBL21625704 0.89 MCHR1 (0.46) MCHR1ACKR3TMEM97SIGMAR1LMNA
SCHEMBL21625702 0.85 MCHR1 (0.51) POLBMCHR1BCHEACHE
SCHEMBL23983072 0.85 DRD2 (0.46) POLBRAD52KMT2ASMN1; SMN2MCHR1
Hydrochloric Acid SCHEMBL21625731 0.85 MCHR1 (0.50) POLBMCHR1BCHEACHE
Hydrochloric Acid SCHEMBL21625726 0.84 DRD2 (0.45) POLBRAD52KMT2ASMN1; SMN2MCHR1
SCHEMBL21625723 0.82 HSD17B1 (0.51) MCHR1ACKR3TMEM97SIGMAR1LMNA

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-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

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 POLB 3617/4885RAD52 4878/4885KMT2A 401/4885

“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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