SCHEMBL5705015

SCHEMBL5705015

CC(C)(C)OC(=O)NCCCCCCN1CCC(c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.49
HTR6 P50406 3/20 0.49
HRH2 P25021 4/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HTR2B P41595 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRB3 P13945 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRK1 P41145 1/20 0.46
P2RY14 Q15391 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6135265 1.00 DRD2 (0.49) DRD2HTR6HRH2HDAC10HDAC6
SCHEMBL5705202 0.83 DRD2 (0.54) DRD2GAACCR2
SCHEMBL6133727 0.79 DRD2 (0.49) DRD2HTR6ALDH1A1CYP1A2CYP3A4
SCHEMBL5705151 0.76 DRD2 (0.49) DRD2HTR6ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6134453 0.76 MAPT (0.53) DRD2HTR6HRH2HDAC10HDAC6
SCHEMBL3113930 0.75 CCR2 (0.58) DRD2SLC6A4CCR2HTR2A
SCHEMBL6133832 0.74 CCR2 (0.66) CCR2
SCHEMBL6133804 0.73 SIGMAR1 (0.51) DRD2HDAC1HDAC2
SCHEMBL6777709 0.73 LMNA (0.56) DRD2HTR6HRH2HTR2BADRA2A
SCHEMBL7389088 0.73 BCHE (0.55) DRD2HTR6HDAC10HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691807-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Astellas Pharma Inc. (JP) 2006-08-23 EP disclosed
US-20050245540-A1 New methods FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
WO-2005056012-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES ASTELLAS PHARMA INC. (JP) 2005-06-23 WO 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-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 DRD2 2595/4885HTR6 1013/4885HRH2 60/4885

“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.