SCHEMBL6765178

SCHEMBL6765178

CC(=O)NCCc1c[nH]c2ccc(NC(N)=O)cc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.77
MTNR1B P49286 14/20 0.77
CYP1A2 P05177 5/20 0.77
NQO2 P16083 3/20 0.77
NOTUM Q6P988 4/20 0.67
BLM P54132 3/20 0.67
KDM4E B2RXH2 3/20 0.67
CYP3A4 P08684 3/20 0.67
CYP2D6 P10635 3/20 0.67
HPGD P15428 3/20 0.67
ALDH1A1 P00352 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
MAPT P10636 1/20 0.67
IDO1 P14902 1/20 0.67
SPR P35270 1/20 0.67
HSD17B10 Q99714 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CYP1A1 P04798 1/20 0.63
MPO P05164 1/20 0.63

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
SCHEMBL6766265 0.91 MTNR1A (0.82) MTNR1AMTNR1BCYP1A2NQO2NOTUM
SCHEMBL4655625 0.87 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2NQO2NOTUM
SCHEMBL29766820 0.87 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2NQO2NOTUM
Water SCHEMBL10579379 0.86 KDM4E (0.60) MTNR1AMTNR1BCYP1A2NQO2NOTUM
SCHEMBL31543669 0.86 MTNR1A (0.74) MTNR1AMTNR1BCYP1A2NQO2NOTUM
SCHEMBL10578553 0.84 HTR1D (0.61) MTNR1AMTNR1BCYP1A2NQO2NOTUM
SCHEMBL10578549 0.84 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2NQO2NOTUM
SCHEMBL6765265 0.83 HTR1A (0.64) MTNR1AMTNR1BCYP1A2NQO2NOTUM
SCHEMBL7015652 0.82 MTNR1A (0.74) MTNR1AMTNR1BCYP1A2NQO2NOTUM
SCHEMBL6763965 0.82 MTNR1A (0.74) MTNR1AMTNR1BCYP1A2NQO2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 disclosed
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2002-03-28 US disclosed
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 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 MTNR1A 1/4885MTNR1B 2/4885CYP1A2 1334/4885
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives MTNR1A, MTNR1B, MC5R MTNR1A 1/4885MTNR1B 2/4885CYP1A2 812/4885

“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.