SCHEMBL2540441

SCHEMBL2540441

Cc1cccc(Cl)c1/C=C/C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.41
SLC6A4 P31645 5/20 0.37
CXCR5 P32302 1/20 0.36
HTR6 P50406 2/20 0.36
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 1/20 0.34
KHK P50053 1/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A3 Q01959 4/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL2540442 1.00 HTR2C (0.41) HTR2CSLC6A4CXCR5HTR6NPSR1
Hydrochloric Acid SCHEMBL2537971 0.98 HTR2C (0.42) HTR2CSLC6A4CXCR5HTR6NPSR1
Hydrochloric Acid SCHEMBL2537973 0.98 HTR2C (0.42) HTR2CSLC6A4CXCR5HTR6NPSR1
SCHEMBL2535218 0.89 HTR2C (0.46) HTR2CSLC6A4CXCR5HTR6KHK
SCHEMBL2535222 0.89 HTR2C (0.46) HTR2CSLC6A4CXCR5HTR6KHK
SCHEMBL2535408 0.89 HTR2C (0.46) HTR2CSLC6A4CXCR5HTR6KHK
Hydrochloric Acid SCHEMBL2536590 0.87 HTR2C (0.47) HTR2CSLC6A4CXCR5HTR6KHK
Hydrochloric Acid SCHEMBL2536594 0.87 HTR2C (0.47) HTR2CSLC6A4CXCR5HTR6KHK
SCHEMBL2538627 0.83 HTR2C (0.41) HTR2CSLC6A4CXCR5HTR6KHK
SCHEMBL2538626 0.83 HTR2C (0.41) HTR2CSLC6A4CXCR5HTR6KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl ASTELLAS PHARMA INC. AND KOTOBUKI PHARMACEUTICAL CO., LTD. 2007-05-03 US claimed
EP-1602645-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE HAVING 2,6-DISUBSTITUTED STYRYL Astellas Pharma Inc. (JP) 2005-12-07 EP claimed
US-8044206-B2 Nitrogen—containing heterocyclic derivatives having 2,6-disubstituted styryl ASTELLAS PHARMA INC. (JP) 2011-10-25 US disclosed
US-8044206-B2 Nitrogen—containing heterocyclic derivatives having 2,6-disubstituted styryl ASTELLAS PHARMA INC. (JP) 2011-10-25 US disclosed
US-8044206-B2 Nitrogen—containing heterocyclic derivatives having 2,6-disubstituted styryl ASTELLAS PHARMA INC. (JP) 2011-10-25 US disclosed
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl ASTELLAS PHARMA INC. AND KOTOBUKI PHARMACEUTICAL CO., LTD. 2007-05-03 US disclosed
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl ASTELLAS PHARMA INC. AND KOTOBUKI PHARMACEUTICAL CO., LTD. 2007-05-03 US disclosed
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl ASTELLAS PHARMA INC. AND KOTOBUKI PHARMACEUTICAL CO., LTD. 2007-05-03 US disclosed
EP-1602645-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE HAVING 2,6-DISUBSTITUTED STYRYL Astellas Pharma Inc. (JP) 2005-12-07 EP 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-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl SCN1B, CACNA1B, SCN2A HTR2C 730/4885SLC6A4 102/4885CXCR5 1922/4885

“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.