SCHEMBL1179531

SCHEMBL1179531

CC1(C)CCCN1CCCOc1ccc(-n2cc(C(=O)N3CCOCC3)cn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.68
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD4 P21917 1/20 0.47
SLC6A2 P23975 1/20 0.47
HRH2 P25021 1/20 0.47
SLC6A4 P31645 1/20 0.47
HRH1 P35367 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1179503 0.90 HRH3 (0.65) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL1179240 0.84 HRH3 (0.73) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL1179508 0.83 HRH3 (0.71) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL15372527 0.81 HRH3 (1.00) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL1179419 0.81 HRH3 (1.00) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL1178822 0.81 HRH3 (1.00) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL2937597 0.80 HRH3 (0.67) HRH3CHRM2CHRM1ADRA2CCHRM3
Hydrochloric Acid SCHEMBL1179495 0.80 HRH3 (0.98) HRH3CHRM2CHRM1ADRA2CCHRM3
Bromide SCHEMBL1180478 0.80 HRH3 (0.98) HRH3CHRM2CHRM1ADRA2CCHRM3
Hydrochloric Acid SCHEMBL2989255 0.80 HRH3 (0.98) HRH3CHRM2CHRM1ADRA2CCHRM3

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2221298-B1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2013-11-06 EP claimed
CN-101855211-B Phenylpyrazole derivatives TAISHO PHARMACEUTICAL CO LTD 2013-06-12 CN claimed
US-8193176-B2 Phenylpyrazole derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2012-06-05 US claimed
US-20110065668-A1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-03-17 US claimed
US-7888354-B2 Phenylpyrazole derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-02-15 US claimed
US-20100267687-A1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 US claimed
CN-101855211-A Phenylpyrazole derivatives TAISHO PHARMACEUTICAL CO LTD 2010-10-06 CN claimed
EP-2221298-A1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-08-25 EP claimed
EP-2221298-B1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2013-11-06 EP disclosed
CN-101855211-B Phenylpyrazole derivatives TAISHO PHARMACEUTICAL CO LTD 2013-06-12 CN 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-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
CN-101855211-A Phenylpyrazole derivatives TAISHO PHARMACEUTICAL CO LTD 2010-10-06 CN 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 (2 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 5/4885CHRM2 310/4885CHRM1 214/4885
US-20100267687-A1 PHENYLPYRAZOLE DERIVATIVES PER2, CRY1, HCRTR1 HRH3 5/4885CHRM2 310/4885CHRM1 214/4885

“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.