SCHEMBL2881787

SCHEMBL2881787

COC(=O)c1ccc(Cn2cnc3cc(C)ccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.51
CYP11B2 P19099 2/20 0.51
LMNA P02545 2/20 0.51
CYP11B1 P15538 1/20 0.51
HTT P42858 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
IDO1 P14902 1/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 2/20 0.49
MMP13 P45452 1/20 0.48
YTHDC1 Q96MU7 1/20 0.48
PPARG P37231 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL8042067 0.85 PPARG (0.60) BRD4SMN1; SMN2CYP11B2CYP11B1HTT
SCHEMBL14376776 0.85 HDAC6 (0.70) SMN1; SMN2CYP11B2LMNACYP11B1HTT
SCHEMBL14976924 0.84 BRD4 (0.54) BRD4SMN1; SMN2HDAC1HDAC6IDO1
SCHEMBL7814456 0.84 FGFR1 (0.64) BRD4CYP11B2CYP11B1HDAC1HDAC6
SCHEMBL3497107 0.84 HDAC1 (0.70) BRD4SMN1; SMN2CYP11B2LMNACYP11B1
SCHEMBL13559830 0.83 CYP11B1 (0.71) BRD4SMN1; SMN2CYP11B2LMNACYP11B1
SCHEMBL22533917 0.82 BRD4 (0.52) BRD4SMN1; SMN2CYP11B2HDAC1HDAC6
SCHEMBL16042515 0.80 BRD4 (0.62) BRD4SMN1; SMN2CYP11B2LMNAHDAC1
SCHEMBL13187037 0.79 KCNH2 (0.71) BRD4SMN1; SMN2CYP11B2LMNACYP11B1
SCHEMBL22533718 0.78 PPARG (0.48) BRD4SMN1; SMN2HDAC1HDAC6RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 EP disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 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-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 BRD4 878/4885SMN1; SMN2 895/4885CYP11B2 2197/4885

“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.