SCHEMBL6765265

SCHEMBL6765265

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.64
HTR1D P28221 8/20 0.64
HTR1B P28222 7/20 0.64
HTR7 P34969 4/20 0.64
HTR2C P28335 4/20 0.64
CYP1A2 P05177 4/20 0.64
HTR5A P47898 3/20 0.64
HTR6 P50406 3/20 0.64
TSHR P16473 2/20 0.64
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
HSD17B10 Q99714 1/20 0.64
HTR2A P28223 6/20 0.58
HTR2B P41595 2/20 0.58
HTR1E P28566 2/20 0.58
CYP2C9 P11712 2/20 0.58
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58

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
SCHEMBL9258576 0.91 MPO (0.58) HTR1AHTR1DHTR1BHTR7HTR2C
SCHEMBL6153313 0.89 HTR7 (0.64) HTR1AHTR1DHTR1BHTR7HTR2C
SCHEMBL10552982 0.88 HTR1D (0.69) HTR1AHTR1DHTR1BHTR7HTR2C
SCHEMBL10555088 0.86 HTR1A (0.58) HTR1AHTR1DHTR1BHTR7HTR2C
SCHEMBL10552426 0.85 HTR1D (0.62) HTR1AHTR1DHTR1BHTR7HTR2C
SCHEMBL10578720 0.85 HTR1D (0.62) HTR1AHTR1DHTR1BHTR7HTR2C
SCHEMBL10577690 0.84 HTR1D (0.61) HTR1AHTR1DHTR1BHTR7HTR2C
SCHEMBL10555975 0.84 HTR1A (0.57) HTR1AHTR1DHTR1BHTR7HTR2C
Water SCHEMBL10579379 0.84 KDM4E (0.60) HTR1AHTR1DHTR1BHTR2CCYP1A2
SCHEMBL10576242 0.84 HTR1A (0.60) HTR1AHTR1DHTR1BHTR7HTR2C

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-4803218-A HYPOTENSIVE AGENTS MCNEILAB, INC. (US) 1989-02-07 US 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
US-4839377-A TREATMENT OF MIGRAINE GLAXO GROUP LIMITED (GB) 1989-06-13 US disclosed
US-4803218-A HYPOTENSIVE AGENTS MCNEILAB, INC. (US) 1989-02-07 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 HTR1A 16/4885HTR1D 23/4885HTR1B 41/4885
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives MTNR1A, MTNR1B, MC5R HTR1A 33/4885HTR1D 72/4885HTR1B 104/4885

“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.