SCHEMBL6765219

SCHEMBL6765219

COC(=O)Nc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 7/20 0.76
MTNR1A P48039 13/20 0.70
MTNR1B P49286 13/20 0.70
CYP1A2 P05177 3/20 0.62
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 1/20 0.51
MDM2 Q00987 1/20 0.51

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
SCHEMBL6763787 0.87 NQO2 (0.78) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL17108183 0.86 NQO2 (1.00) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL7200117 0.84 NQO2 (0.72) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL6764471 0.83 NQO2 (0.74) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL1311849 0.82 MTNR1A (1.00) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL31543690 0.81 MTNR1A (0.72) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL26989714 0.79 MTNR1A (0.80) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL29766820 0.77 MTNR1A (1.00) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL4655625 0.77 MTNR1A (1.00) NQO2MTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL9667084 0.76 MTNR1A (0.65) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9

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
US-20040198803-A1 Such as 5-(methoxycarbonylamino)-N - acetyltryptamine; therapy for ocular hypertension; vision defects PINTOR JESUS J (ES) 2004-10-07 US claimed
US-6730707-B2 SUCH AS 5-(METHOXYCARBONYLAMINO)-N-ACETYLTRYPTAMINE; TREATING OCULAR HYPERTENSION, VARIOUS FORMS OF GLAUCOMA INSPIRE PHARMACEUTICALS, INC. 2004-05-04 US claimed
EP-1307191-A2 USE OF INDOLE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR REDUCING INTRACULAR PRESSURE Inspire Pharmaceuticals, Inc. (US) 2003-05-07 EP claimed
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2002-03-28 US claimed
WO-2002009702-A2 USE OF INDOLE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR REDUCING INTRACULAR PRESSURE INSPIRE PHARMACEUTICALS, INC. (US) 2002-02-07 WO claimed
US-20040198803-A1 Such as 5-(methoxycarbonylamino)-N - acetyltryptamine; therapy for ocular hypertension; vision defects PINTOR JESUS J (ES) 2004-10-07 US disclosed
US-6730707-B2 SUCH AS 5-(METHOXYCARBONYLAMINO)-N-ACETYLTRYPTAMINE; TREATING OCULAR HYPERTENSION, VARIOUS FORMS OF GLAUCOMA INSPIRE PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2002-03-28 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 (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-20040198803-A1 Such as 5-(methoxycarbonylamino)-N - acetyltryptamine; therapy for ocular hypertension; vision defects MTNR1A, MTNR1B, MC5R NQO2 984/4885MTNR1A 1/4885MTNR1B 2/4885
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives MTNR1A, MTNR1B, MC5R NQO2 619/4885MTNR1A 1/4885MTNR1B 2/4885

“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.