SCHEMBL1697490

SCHEMBL1697490

CC(=O)NC(C)c1ccccc1C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.46
HTR1F P30939 1/20 0.43
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SSTR4 P31391 3/20 0.39
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 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
SCHEMBL1697486 1.00 HTR2C (0.46) HTR2CHTR1FSLC6A2SLC6A4SLC6A3
SCHEMBL1697782 1.00 HTR2C (0.46) HTR2CHTR1FSLC6A2SLC6A4SLC6A3
SCHEMBL13713476 0.82 HTR6 (0.41) HTR1FSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL71056 0.82 HTR6 (0.41) HTR1FSLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL6612954 0.81 HTR6 (0.40) HTR1FSLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL3123499 0.81 HTR6 (0.40) HTR1FSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL27565324 0.80 HTR2C (0.51) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL19139827 0.77 HTR2C (0.59) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL4676075 0.76 HTR2C (0.57) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL9966799 0.74 ACACB (0.58)

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
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
EP-2588451-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS Boehringer Ingelheim International GmbH (DE) 2013-05-08 EP disclosed
CN-103080087-A Piperidine derivatives and their use for the treatment of metabolic disorders BOEHRINGER INGELHEIM INT 2013-05-01 CN disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 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-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 HTR2C 691/4885HTR1F 1005/4885SLC6A2 2853/4885

“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.