SCHEMBL10218562

SCHEMBL10218562

Cc1cnn2c(N3CC(C(=O)N4CCC(c5ccccc5F)CC4)C3)c3c(nc12)CCNCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.43
HTR2C P28335 14/20 0.43
HTR2B P41595 14/20 0.43
HTR6 P50406 1/20 0.38
RPLP1 P05386 1/20 0.38
RPLP0 P05388 1/20 0.38
RPS17 P08708 1/20 0.38
RPSA P08865 1/20 0.38
RPS2 P15880 1/20 0.38
RPL35A P18077 1/20 0.38
RPL7 P18124 1/20 0.38
RPL17 P18621 1/20 0.38
RPS4Y1 P22090 1/20 0.38
RPS3 P23396 1/20 0.38
RPS12 P25398 1/20 0.38
RPL13 P26373 1/20 0.38
RPL10 P27635 1/20 0.38
RPL12 P30050 1/20 0.38
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 1/20 0.38
RPL22 P35268 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
SCHEMBL10218037 0.87 HTR2C (0.59) HTR2AHTR2CHTR2BRBP4
SCHEMBL10218537 0.83 SPR (0.40) HTR2AHTR2CHTR2BHTR6
SCHEMBL10218054 0.83 HTR2C (0.58) HTR2AHTR2CHTR2BRBP4
SCHEMBL10218564 0.83 HTR2A (0.54) HTR2AHTR2CHTR2BHTR6
SCHEMBL14700100 0.81 HTR2A (0.38) HTR2AHTR2CHTR2BHTR6
SCHEMBL10218058 0.79 HTR2C (0.57) HTR2AHTR2CHTR2B
SCHEMBL10218541 0.79 HTR2A (0.37) HTR2AHTR2CHTR2BHTR6
SCHEMBL10218531 0.78 HTR2A (0.40) HTR2AHTR2CHTR2BHTR6
SCHEMBL13329423 0.78 HTR2A (0.51) HTR2AHTR2CHTR2BRBP4
SCHEMBL10218042 0.78 HTR2A (0.55) HTR2AHTR2CHTR2B

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 6 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
EP-2384328-B1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM INT (DE) 2013-02-13 EP 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
WO-2010060952-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) 2010-06-03 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 (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 HTR2A 9/4885HTR2C 2/4885HTR2B 14/4885

“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.