SCHEMBL4078677

SCHEMBL4078677

Cc1c[nH]c2c(Cl)cccc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.55
HTR2A P28223 1/20 0.51
NR4A2 P43354 1/20 0.51
SLC6A4 P31645 2/20 0.49
ATM Q13315 1/20 0.47
AR P10275 2/20 0.45
REN P00797 1/20 0.43
DAO P14920 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
RIPK1 Q13546 3/20 0.42
TDO2 P48775 1/20 0.42
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 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
Ethoxycarbonyl Group SCHEMBL28768212 0.82 NR4A2 (0.45) DYRK1AHTR2ANR4A2SLC6A4REN
SCHEMBL28251367 0.80 DYRK1A (0.60) DYRK1AHTR2ANR4A2SLC6A4AR
SCHEMBL2143637 0.80 TRIM24 (0.60) HTR2ANR4A2ATMARREN
SCHEMBL31607554 0.80 TRIM24 (0.60) HTR2ANR4A2ATMARREN
SCHEMBL15692504 0.78 REN (0.57) HTR2ANR4A2ATMARREN
SCHEMBL16727192 0.77 DYRK1A (0.53) DYRK1AHTR2ANR4A2ATMAR
SCHEMBL5248011 0.77 ATM (0.48) HTR2ANR4A2ATMRENCYP1A2
SCHEMBL1137500 0.75 DYRK1A (0.55) DYRK1AHTR2ANR4A2SLC6A4ATM
SCHEMBL7089054 0.75 REN (0.50) HTR2ANR4A2ATMRENTRIM24
SCHEMBL3221554 0.75 GPR84 (0.58) HTR2ASLC6A4ATMARREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183394-A1 ALPHA 1A-ADRENERGIC RECEPTOR AGONISTS AND METHODS OF USE CURASEN THERAPEUTICS, INC. (US) 2023-09-28 WO disclosed
WO-2023018747-A1 INHIBITORS OF HYPOXIA-INDUCIBLE FACTORS THE JOHNS HOPKINS UNIVERSITY (US) 2023-02-16 WO disclosed
US-20180037917-A1 PROTECTING GROUP CHEMISTRY FOR CLEAN, REDUCTANT-FREE DYEING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-08 US disclosed
EP-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 EP disclosed
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
CN-1960973-A 1-(1h-indol-1-yl)-3-(4-methylpiperazin-1-yl)-1-phenyl propan-2-ol derivatives and related compounds as modulators of the norepinephrine(NE) and the serotonine(5-HT) activity and the monoamine reuptake WYETH CORP (US) 2007-05-09 CN disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 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 (3 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-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT DYRK1A 1728/4885HTR2A 58/4885NR4A2 4086/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT DYRK1A 1728/4885HTR2A 58/4885NR4A2 4086/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT DYRK1A 1728/4885HTR2A 58/4885NR4A2 4086/4885

“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.