SCHEMBL6921380

SCHEMBL6921380

CN1C2CCC1c1c(n(CC(O)(NC(=O)c3ccc(F)cc3)C3CCC3)c3ccc(Cl)cc13)C2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.36
PLD2 O14939 3/20 0.36
PLD1 Q13393 3/20 0.36
DRD2 P14416 1/20 0.35
CCR1 P32246 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPT P10636 1/20 0.33
GRM5 P41594 1/20 0.33
CACNA1H O95180 1/20 0.33

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
SCHEMBL6919736 0.85 HTR6 (0.35) HTR6
SCHEMBL6920101 0.81 IDO1 (0.44) HTR6DRD2SLC6A4SLC6A3
SCHEMBL14944935 0.80 HDAC1 (0.49) HTR6HDAC1HDAC6
SCHEMBL12877314 0.80 HDAC6 (0.57) HTR6HDAC1HDAC6
SCHEMBL6919740 0.77 RORA (0.37) HTR6
SCHEMBL13394742 0.77 ALDH1A1 (0.43) HTR6PLD2PLD1DRD2HDAC1
SCHEMBL6921361 0.75 HTR6 (0.43) HTR6
SCHEMBL6921947 0.75 HTR6 (0.37) HTR6CACNA1H
SCHEMBL13394722 0.74 SIGMAR1 (0.46) HTR6DRD2
SCHEMBL1082513 0.74 BAZ2B (0.48) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
WO-2011038164-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 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 (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-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HTR6 22/4885PLD2 179/4885PLD1 333/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HTR6 22/4885PLD2 179/4885PLD1 333/4885

“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.