SCHEMBL6727134

SCHEMBL6727134

CC1CCCN1CCCOc1ccc(-n2cc(C(=O)O)cn2)cc1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.75
HTR3A P46098 3/20 0.56
KCNH2 Q12809 2/20 0.53

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
SCHEMBL6727106 1.00 HRH3 (0.75) HRH3HTR3AKCNH2
SCHEMBL6727074 1.00 HRH3 (0.75) HRH3HTR3AKCNH2
Hydrochloric Acid SCHEMBL1178628 0.99 HRH3 (0.74) HRH3HTR3AKCNH2
Hydrochloric Acid SCHEMBL1178730 0.99 HRH3 (0.74) HRH3HTR3AKCNH2
Hydrochloric Acid SCHEMBL1178709 0.99 HRH3 (0.74) HRH3HTR3AKCNH2
Dimethylamine SCHEMBL2939116 0.97 HRH3 (0.72) HRH3HTR3AKCNH2
SCHEMBL1178737 0.92 HRH3 (0.75) HRH3HTR3AKCNH2
SCHEMBL1178847 0.91 HRH3 (0.74) HRH3HTR3AKCNH2
SCHEMBL1180016 0.91 HRH3 (0.74) HRH3HTR3AKCNH2
SCHEMBL1179147 0.91 HRH3 (0.71) HRH3HTR3AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2221298-B1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2013-11-06 EP disclosed
US-8193176-B2 Phenylpyrazole derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2012-06-05 US disclosed
US-8193176-B2 Phenylpyrazole derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2012-06-05 US disclosed
US-8183387-B2 Phenylpyrazole derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2012-05-22 US disclosed
US-8183387-B2 Phenylpyrazole derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2012-05-22 US disclosed
US-20110065667-A1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-03-17 US disclosed
US-20110065667-A1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-03-17 US disclosed
US-20110065668-A1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-03-17 US disclosed
US-20110065668-A1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-03-17 US disclosed
US-7888354-B2 Phenylpyrazole derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-02-15 US disclosed
US-7888354-B2 Phenylpyrazole derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-02-15 US disclosed
US-20100267687-A1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 US disclosed
US-20100267687-A1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 US disclosed
EP-2221298-A1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-08-25 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 (3 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-20110065668-A1 PHENYLPYRAZOLE DERIVATIVES PER2, CRY1, HCRTR1 HRH3 5/4885HTR3A 7/4885KCNH2 1286/4885
US-20110065667-A1 PHENYLPYRAZOLE DERIVATIVES PER2, CRY1, HCRTR1 HRH3 5/4885HTR3A 7/4885KCNH2 1286/4885
US-20100267687-A1 PHENYLPYRAZOLE DERIVATIVES PER2, CRY1, HCRTR1 HRH3 5/4885HTR3A 7/4885KCNH2 1286/4885

“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.