SCHEMBL6290733

SCHEMBL6290733

NC(=O)C12CC3CCC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
HSD11B1 P28845 5/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
EPHX1 P07099 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL6877661 0.93 ALDH1A1 (0.52) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL176523 0.93 ALDH1A1 (0.52) ALDH1A1HTTCRHBPCRHR2MCOLN3
Hydrochloric Acid SCHEMBL7936029 0.90 ALDH1A1 (0.50) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL7627478 0.90 ALDH1A1 (0.50) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL6273763 0.84 ALDH1A1 (0.46) ALDH1A1HTTCRHBPCRHR2MCOLN3
Formic Acid SCHEMBL20660413 0.84 ALDH1A1 (0.46) ALDH1A1HTTCRHBPCRHR2MCOLN3
Amantadine SCHEMBL8710832 0.82 LMNA (0.56) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL16038530 0.82
Hydrochloric Acid SCHEMBL31074189 0.79
Trifluoroacetic Acid SCHEMBL6384678 0.79 ALDH1A1 (0.42) ALDH1A1HTTCRHBPCRHR2MCOLN3

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-6927219-B2 N-alkyl-adamantyl triazinyl benzamide derivatives PFIZER INC. (US) 2005-08-09 US disclosed
US-20030144293-A1 N-alkyl-adamantyl triazinyl benzamide derivatives PFIZER INC. 2003-07-31 US disclosed
WO-2003042190-A1 N-ALKYL-ADAMANTYL DERIVATIVES AS P2X7-RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-05-22 WO disclosed
EP-1310493-A1 N-adamantylalkyl benzamide derivates as p2x7-receptor antagonists Pfizer Products Inc. (US) 2003-05-14 EP 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-20030144293-A1 N-alkyl-adamantyl triazinyl benzamide derivatives AIFM1, BAD, BID ALDH1A1 156/4885HTT 2104/4885CRHBP 4798/4885

“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.