SCHEMBL21625717

SCHEMBL21625717

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ ACKR3 P25106 4/20 0.46
▸ LMNA P02545 4/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ DRD3 P35462 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
▸ POLB P06746 2/20 0.45
▸ RAD52 P43351 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43

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 SCHEMBL21625708 0.99 MCHR1 (0.50) MCHR1TMEM97SIGMAR1ACKR3LMNA
SCHEMBL23983050 0.95 POLB (0.49) MCHR1TMEM97SIGMAR1ACKR3LMNA
Hydrochloric Acid SCHEMBL21625700 0.94 POLB (0.49) MCHR1TMEM97SIGMAR1ACKR3LMNA
SCHEMBL21625706 0.93 MCHR1 (0.47) MCHR1TMEM97SIGMAR1ACKR3LMNA
Hydrochloric Acid SCHEMBL21625704 0.92 MCHR1 (0.46) MCHR1TMEM97SIGMAR1ACKR3LMNA
SCHEMBL21625702 0.88 MCHR1 (0.51) MCHR1POLBBCHEACHEHTR2C
SCHEMBL23983072 0.88 DRD2 (0.46) MCHR1DRD2DRD3POLBRAD52
Hydrochloric Acid SCHEMBL21625731 0.87 MCHR1 (0.50) MCHR1POLBBCHEACHEHTR2C
Hydrochloric Acid SCHEMBL21625726 0.87 DRD2 (0.45) MCHR1DRD2DRD3POLBRAD52
SCHEMBL21625723 0.87 HSD17B1 (0.51) MCHR1TMEM97SIGMAR1ACKR3LMNA

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 4 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

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 745/4885TMEM97 2337/4885SIGMAR1 892/4885

“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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