SCHEMBL6764478

SCHEMBL6764478

c1cc2cc(NC3=NCCN3)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.58
ADRA2A P08913 16/20 0.58
ADRA2B P18089 16/20 0.58
ADRA2C P18825 16/20 0.58
ADRA1D P25100 3/20 0.56
ADRA1A P35348 3/20 0.56
ADRA1B P35368 3/20 0.56
PTGIR P43119 2/20 0.48

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
SCHEMBL6786823 0.76 CFB (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6789271 0.76 ADRA2A (0.50) NISCHADRA2AADRA2BADRA2CADRA1D
SCHEMBL6791315 0.76 CFB (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6788647 0.76 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4672878 0.75 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL12129516 0.74 SYK (0.50)
SCHEMBL1670195 0.73 KMT2A (0.48) NISCH
SCHEMBL7033369 0.73 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8791496 0.73 FGFR2 (0.56)
SCHEMBL11948704 0.73 FGFR2 (0.56)

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 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
EP-0900080-A4 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 2000-12-13 EP disclosed
EP-0900080-A1 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-03-10 EP disclosed
WO-1997031636-A1 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-09-04 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 NISCH 1292/4885ADRA2A 292/4885ADRA2B 399/4885
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives MTNR1A, MTNR1B, MC5R NISCH 956/4885ADRA2A 315/4885ADRA2B 406/4885

“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.