SCHEMBL3436049

SCHEMBL3436049

NC(=O)CN1CCC(c2ccccc2N)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
DRD4 P21917 4/20 0.44
SCN9A Q15858 1/20 0.41
RBP4 P02753 2/20 0.40
GAA P10253 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CACNA1G O43497 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 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
Hydrochloric Acid SCHEMBL2078695 0.98 CYP2C19 (0.43) CYP2C19DRD4SCN9ARBP4GAA
SCHEMBL3436055 0.94 DRD4 (0.41) CYP2C19DRD4SCN9ARBP4GAA
SCHEMBL3435103 0.84 OPRL1 (0.43) CYP2C19DRD4ALDH1A1KMT2AMEN1
SCHEMBL3436370 0.84 DRD4 (0.59) DRD4
SCHEMBL4185437 0.80 DRD2 (0.63) DRD4KMT2AMEN1
SCHEMBL3436234 0.80 CCNT1 (0.44) CYP2C19DRD4SCN9AGAAALDH1A1
SCHEMBL3435719 0.80 CCNT1 (0.44) CYP2C19DRD4SCN9AGAAALDH1A1
SCHEMBL4178029 0.80 SLC18A3 (0.58) DRD4GAAALDH1A1KMT2AMEN1
SCHEMBL3436624 0.79 DRD4 (0.55) DRD4KDM4E
SCHEMBL3436191 0.77 DRD4 (0.43) CYP2C19DRD4SCN9AHDAC3HDAC4

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 4 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-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
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 CYP2C19 1395/4885DRD4 4535/4885SCN9A 3594/4885

“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.