SCHEMBL9102507

SCHEMBL9102507

Cc1cc(OCCCl)nn1-c1ccc2ccccc2c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.70
KCNH2 Q12809 2/20 0.65
HTR2B P41595 1/20 0.65
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL12608274 0.88 SIGMAR1 (0.76) SIGMAR1KCNH2HTR2BCYP1A2CYP3A4
SCHEMBL1135542 0.87 SIGMAR1 (0.55) SIGMAR1KCNH2HTR2B
SCHEMBL8274194 0.87 SIGMAR1 (0.70) SIGMAR1KCNH2HTR2BCYP1A2CYP3A4
SCHEMBL467324 0.83 SIGMAR1 (1.00) SIGMAR1KCNH2HTR2B
SCHEMBL467349 0.82 SIGMAR1 (1.00) SIGMAR1KCNH2HTR2B
SCHEMBL4523328 0.81 SIGMAR1 (0.71) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1894793 0.81 SIGMAR1 (0.98) SIGMAR1KCNH2HTR2B
SCHEMBL467090 0.81 SIGMAR1 (1.00) SIGMAR1KCNH2HTR2B
Hydrochloric Acid SCHEMBL29557756 0.81 SIGMAR1 (0.98) SIGMAR1KCNH2HTR2B
SCHEMBL1135428 0.81 SIGMAR1 (0.62) SIGMAR1KCNH2HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646435-B1 5-METHYL-1-(NAPHTHALEN-2-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE IN POTENTIATING THE EFFECT OF OPIOID ANALGESICS ESTEVE LABOR DR (ES) 2016-03-02 EP disclosed
EP-2646435-B1 5-METHYL-1-(NAPHTHALEN-2-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE IN POTENTIATING THE EFFECT OF OPIOID ANALGESICS ESTEVE LABOR DR (ES) 2016-03-02 EP disclosed
US-8729073-B2 5-methyl-1-(naphthalen-2-yl)-1H-pyrazole derivatives and their use in potentiating the effect of opioid analgesics LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2014-05-20 US disclosed
US-8729073-B2 5-methyl-1-(naphthalen-2-yl)-1H-pyrazole derivatives and their use in potentiating the effect of opioid analgesics LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2014-05-20 US disclosed
US-8729073-B2 5-methyl-1-(naphthalen-2-yl)-1H-pyrazole derivatives and their use in potentiating the effect of opioid analgesics LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2014-05-20 US disclosed
US-20130303540-A1 5-METHYL-1-(NAPHTHALEN-2-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE IN POTENTIATING THE EFFECT OF OPIOID ANALGESICS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-11-14 US disclosed
US-20130303540-A1 5-METHYL-1-(NAPHTHALEN-2-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE IN POTENTIATING THE EFFECT OF OPIOID ANALGESICS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-11-14 US disclosed
US-20130303540-A1 5-METHYL-1-(NAPHTHALEN-2-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE IN POTENTIATING THE EFFECT OF OPIOID ANALGESICS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-11-14 US disclosed
EP-2646435-A1 5-METHYL-1-(NAPHTHALEN-2-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE IN POTENTIATING THE EFFECT OF OPIOID ANALGESICS Laboratorios Del. Dr. Esteve, S.A. (ES) 2013-10-09 EP disclosed
WO-2012072781-A1 5-METHYL-1-(NAPHTHALEN-2-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE IN POTENTIATING THE EFFECT OF OPIOID ANALGESICS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-07 WO disclosed
WO-2012072781-A1 5-METHYL-1-(NAPHTHALEN-2-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE IN POTENTIATING THE EFFECT OF OPIOID ANALGESICS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-07 WO disclosed
EP-2460804-A1 5-methyl-1-(naphthalen-2-yl)-1h-pyrazole derivatives and their use in potentiating the effect of opioid analgesics LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-06 EP disclosed
EP-2460804-A1 5-methyl-1-(naphthalen-2-yl)-1h-pyrazole derivatives and their use in potentiating the effect of opioid analgesics LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-06 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-20130303540-A1 5-METHYL-1-(NAPHTHALEN-2-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE IN POTENTIATING THE EFFECT OF OPIOID ANALGESICS OPRK1, OPRD1, OPRM1 SIGMAR1 7/4885KCNH2 702/4885HTR2B 430/4885

“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.