SCHEMBL3708601

SCHEMBL3708601

O=C(O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(C4CC4)ccc23)n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PDE2A O00408 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
NR3C1 P04150 1/20 0.38

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
SCHEMBL11978670 0.93 DGAT1 (0.41) MTNR1AMTNR1BPDE2AFNTAFNTB
SCHEMBL3712365 0.92 CNR2 (0.37)
SCHEMBL3706080 0.91 TLR9 (0.42) MTNR1AMTNR1BFNTAFNTB
SCHEMBL4568428 0.90 TLR9 (0.41) MTNR1AMTNR1BPDE2ANR3C1
SCHEMBL4568586 0.89 TLR9 (0.44) MTNR1AMTNR1B
SCHEMBL3701537 0.89 TUBB4A (0.38)
SCHEMBL15975137 0.87 PDE2A (0.38) MTNR1AMTNR1BPDE2AFNTAFNTB
SCHEMBL15975103 0.86 BRD4 (0.39) MTNR1AMTNR1BPDE2ANR3C1
SCHEMBL11977719 0.86 BRD4 (0.38) MTNR1AMTNR1BPDE2ANR3C1
SCHEMBL15998649 0.84 KDM4E (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104151292-A Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL 2014-11-19 CN claimed
CN-104151292-A Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL 2014-11-19 CN disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
CN-102498097-A Indole derivatives or pharmaceutically acceptable salts thereof KISSEI PHARMACEUTICAL 2012-06-13 CN disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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 (1 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R MTNR1A 19/4885MTNR1B 14/4885PDE2A 2171/4885

“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.