SCHEMBL3436191

SCHEMBL3436191

NC(=O)CN1CCC(c2c(N)cccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.43
SCN9A Q15858 1/20 0.41
HDAC1 Q13547 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
PREP P48147 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ABCB1 P08183 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL3436632 0.86 DRD4 (0.48) DRD4SCN9ACCNT1CDK9TLR9
SCHEMBL3436049 0.77 CYP2C19 (0.44) DRD4SCN9AHDAC1CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL2078695 0.76 CYP2C19 (0.43) DRD4SCN9AHDAC1CYP2C19SMN1; SMN2
SCHEMBL3436234 0.76 CCNT1 (0.44) DRD4SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL5256116 0.75 ABCB1 (0.47) PREPABCB1
SCHEMBL3434274 0.75 GAA (0.43) CYP3A4CYP2C9CYP2C19RAD52KMT2A
SCHEMBL3435719 0.73 CCNT1 (0.44) DRD4SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL331200 0.73 KDM4E (0.48) HDAC1CYP3A4CYP2D6CYP2C19HDAC3
SCHEMBL3436055 0.73 DRD4 (0.41) DRD4SCN9AHDAC1CYP2C19HDAC3
SCHEMBL4178029 0.72 SLC18A3 (0.58) DRD4CCR5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 DRD4 4535/4885SCN9A 3594/4885HDAC1 372/4885

“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.