SCHEMBL10218558

SCHEMBL10218558

Cc1cnn2c(N3CC(C(=O)N4CCC5(CC4)OCc4ccccc45)C3)c3c(nc12)CCNCC3

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
HTR2A P28223 6/20 0.38
HTR2C P28335 6/20 0.38
HTR2B P41595 6/20 0.38
AVPR1A P37288 7/20 0.37
SPR P35270 1/20 0.37
HTR6 P50406 1/20 0.36
AVPR2 P30518 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL10218206 0.89 HTR2A (0.50) TNKSTNKS2HTR2AHTR2CHTR2B
SCHEMBL14700100 0.83 HTR2A (0.38) HTR2AHTR2CHTR2BHTR6
SCHEMBL10218531 0.81 HTR2A (0.40) HTR2AHTR2CHTR2BSPRHTR6
SCHEMBL10218551 0.80 HTR2A (0.37) HTR2AHTR2CHTR2BSPRHTR6
SCHEMBL10218533 0.79 TSHR (0.43) HTR2AHTR2CHTR2BHTR6
SCHEMBL10218579 0.79 HTR2A (0.38) HTR2AHTR2CHTR2BSPRHTR6
SCHEMBL10218564 0.78 HTR2A (0.54) HTR2AHTR2CHTR2BSPRHTR6
SCHEMBL10218562 0.77 HTR2A (0.43) HTR2AHTR2CHTR2BHTR6
SCHEMBL10218541 0.76 HTR2A (0.37) HTR2AHTR2CHTR2BSPRHTR6
SCHEMBL10218537 0.76 SPR (0.40) HTR2AHTR2CHTR2BSPRHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346816-B2 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-24 US disclosed
US-9346816-B2 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-24 US disclosed
US-20120165304-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165304-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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 (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-20120165304-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them HTR1A, HTR2C, TPH1 TNKS 2295/4885TNKS2 2735/4885HTR2A 9/4885

“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.