SCHEMBL13636244

SCHEMBL13636244

CC(C)(C1CC1)N1CCN(C(=O)Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.51
TPSAB1 Q15661 1/20 0.51
TPSD1 Q9BZJ3 1/20 0.51
TPSG1 Q9NRR2 1/20 0.51
SIGMAR1 Q99720 2/20 0.50
RECQL P46063 1/20 0.48
GAA P10253 2/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MGLL Q99685 1/20 0.46
CCR8 P51685 2/20 0.46
BRS3 P32247 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FKBP1A P62942 1/20 0.45
GPR183 P32249 1/20 0.45

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 SCHEMBL4383032 0.99 FAAH (0.50) FAAHTPSAB1TPSD1TPSG1SIGMAR1
SCHEMBL6601332 0.90 SMN1; SMN2 (0.51) FAAHTPSAB1TPSD1TPSG1SIGMAR1
Hydrochloric Acid SCHEMBL4543073 0.89 SMN1; SMN2 (0.50) FAAHTPSAB1TPSD1TPSG1SIGMAR1
SCHEMBL13636026 0.79 HRH3 (0.57) FAAHTPSAB1TPSD1TPSG1GAA
SCHEMBL16002953 0.79 CCR8 (0.56) FAAHTPSAB1TPSD1TPSG1SIGMAR1
Hydrochloric Acid SCHEMBL4393679 0.78 HRH3 (0.58) TPSAB1TPSD1TPSG1GAAMAPT
SCHEMBL16000502 0.77 CCR8 (0.54) FAAHTPSAB1TPSD1TPSG1SIGMAR1
SCHEMBL3761258 0.74 KDM4E (0.61) FAAHTPSAB1TPSD1TPSG1SIGMAR1
SCHEMBL4817713 0.74 FAAH (0.56) FAAHTPSAB1TPSD1TPSG1SIGMAR1
SCHEMBL4817700 0.74 FAAH (0.56) FAAHTPSAB1TPSD1TPSG1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 FAAH 432/4885TPSAB1 1576/4885TPSD1 587/4885

“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.