SCHEMBL2535408

SCHEMBL2535408

Cc1cccc(C)c1/C=C\C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.46
CXCR5 P32302 1/20 0.40
KHK P50053 1/20 0.36
KDM1A O60341 1/20 0.36
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR6 P50406 1/20 0.35
ADRB1 P08588 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL2535218 1.00 HTR2C (0.46) HTR2CCXCR5KHKKDM1AHTR1A
SCHEMBL2535222 1.00 HTR2C (0.46) HTR2CCXCR5KHKKDM1AHTR1A
Hydrochloric Acid SCHEMBL2536594 0.98 HTR2C (0.47) HTR2CCXCR5KHKKDM1AHTR1A
Hydrochloric Acid SCHEMBL2536590 0.98 HTR2C (0.47) HTR2CCXCR5KHKKDM1AHTR1A
SCHEMBL2538627 0.94 HTR2C (0.41) HTR2CCXCR5KHKKDM1AHTR1A
SCHEMBL2538626 0.94 HTR2C (0.41) HTR2CCXCR5KHKKDM1AHTR1A
SCHEMBL12226354 0.90 KCNH2 (0.40) HTR2CCXCR5HTR1ASLC6A2SLC6A4
SCHEMBL2540441 0.89 HTR2C (0.41) HTR2CCXCR5KHKHTR1ASLC6A2
SCHEMBL2540442 0.89 HTR2C (0.41) HTR2CCXCR5KHKHTR1ASLC6A2
Hydrochloric Acid SCHEMBL2537971 0.88 HTR2C (0.42) HTR2CCXCR5KHKHTR1ASLC6A2

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
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-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 730/4885CXCR5 1922/4885KHK 2363/4885

“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.