SCHEMBL2581622

SCHEMBL2581622

Oc1nn(CCN2CCCCC2)cc1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.50
ACP1 P24666 1/20 0.48
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
AVPR1B P47901 1/20 0.44
PIM1 P11309 2/20 0.42
KCNH2 Q12809 2/20 0.41
BACE1 P56817 1/20 0.40
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL2577976 0.87 HRH3 (0.46) HRH3ACP1
Hydrochloric Acid SCHEMBL2578245 0.86 HRH3 (0.45) HRH3ACP1
SCHEMBL1384321 0.86 KDM4E (0.48) HRH3ACP1AVPR1BKCNH2
Hydrochloric Acid SCHEMBL2581945 0.85 KDM4E (0.47) HRH3ACP1KCNH2
SCHEMBL2577991 0.84 CTSK (0.48) HRH3ACP1GRIN1GRIN2BKCNH2
Hydrochloric Acid SCHEMBL2581902 0.83 CTSK (0.47) HRH3ACP1GRIN1GRIN2BKCNH2
SCHEMBL2575899 0.82 SLC6A3 (0.45) HRH3ACP1AVPR1BKCNH2
SCHEMBL2578473 0.82 ESR1 (0.43) KCNH2
Hydrochloric Acid SCHEMBL2581224 0.81 HRH3 (0.44) HRH3ACP1AVPR1BKCNH2
Hydrochloric Acid SCHEMBL2579532 0.81 ESR1 (0.42) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048893-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2011-11-01 US disclosed
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 US disclosed
US-7524838-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2009-04-28 US disclosed
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 US 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-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1R, CBR3, C3AR1 HRH3 47/4885ACP1 2514/4885GRIN1 3859/4885
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 HRH3 47/4885ACP1 2519/4885GRIN1 3802/4885

“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.