SCHEMBL1179009

SCHEMBL1179009

C[C@@H]1CCCN1CCCCOc1ccc(I)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.62
MAOB P27338 2/20 0.60
HRH2 P25021 1/20 0.57
HRH1 P35367 1/20 0.57
MAOA P21397 1/20 0.57
SIGMAR1 Q99720 2/20 0.56
KCNH2 Q12809 1/20 0.55
HTR3A P46098 1/20 0.54

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
SCHEMBL1775252 1.00 HRH3 (0.62) HRH3MAOBHRH2HRH1MAOA
SCHEMBL1178972 0.96 HRH3 (0.67) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL85615 0.96 HRH3 (0.67) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL1179056 0.96 HRH3 (0.67) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL1776447 0.92 HRH3 (0.71) HRH3MAOBHRH2HRH1MAOA
SCHEMBL1776848 0.92 HRH3 (0.57) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL1178719 0.92 HRH3 (0.57) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL6727200 0.87 HRH3 (0.63) HRH3MAOBHRH2HRH1MAOA
SCHEMBL4467743 0.82 HRH3 (0.67) HRH3MAOBHRH2HRH1KCNH2
SCHEMBL4562819 0.82 HRH3 (0.67) HRH3MAOBHRH2HRH1KCNH2

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 19 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
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-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-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-20110065668-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-20110065667-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-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
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 5/4885MAOB 482/4885HRH2 42/4885
US-20110065667-A1 PHENYLPYRAZOLE DERIVATIVES PER2, CRY1, HCRTR1 HRH3 5/4885MAOB 482/4885HRH2 42/4885
US-20100267687-A1 PHENYLPYRAZOLE DERIVATIVES PER2, CRY1, HCRTR1 HRH3 5/4885MAOB 482/4885HRH2 42/4885

“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.