SCHEMBL5009795

SCHEMBL5009795

CN1CCC(N(C)C(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)[nH]n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
DYRK1A Q13627 2/20 0.37
GSK3B P49841 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ENPP2 Q13822 1/20 0.37
NTRK1 P04629 2/20 0.36

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
SCHEMBL5008234 0.89 NPC1 (0.47) HPGDSMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL14587716 0.80 SMN1; SMN2 (0.47) HPGDSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL14587657 0.77 UBE2M (0.38) HPGDSMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL5012133 0.77 NPC1 (0.45) HPGDSMN1; SMN2ALDH1A1CYP2C19NPC1
SCHEMBL5013507 0.77 SMN1; SMN2 (0.43) HPGDSMN1; SMN2ALDH1A1CYP2C19NPC1
SCHEMBL14587654 0.76 ALDH1A1 (0.47) HPGDSMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL5013595 0.76 HTT (0.43) HPGDSMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL5013637 0.76 ALDH1A1 (0.39) HPGDSMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL14587658 0.76 ALDH1A1 (0.36) HPGDSMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL5010796 0.76 NPC1 (0.43) HPGDSMN1; SMN2CYP2C19NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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 (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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL HTR1F 3956/4885HPGD 3765/4885SMN1; SMN2 4705/4885

“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.