SCHEMBL1315358

SCHEMBL1315358

COc1ccccc1N1CCN(CCC(=O)NC2(C)CCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.59
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
MAPK1 P28482 1/20 0.57
HTR7 P34969 2/20 0.56
LMNA P02545 1/20 0.56
CACNA1G O43497 1/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
DRD4 P21917 1/20 0.55

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
SCHEMBL1318291 0.85 DRD2 (0.62) HTR1AKMT2ALMNADRD4
SCHEMBL3056156 0.81 HTR1A (0.68) HTR1AKMT2AMEN1MAPK1HTR7
SCHEMBL10401212 0.80 LMNA (0.69) LMNA
SCHEMBL8445652 0.80 DRD2 (0.66) HTR1ADRD4
SCHEMBL8443516 0.79 HTR1A (0.65) HTR1AKMT2AMEN1MAPK1HTR7
SCHEMBL14007328 0.78 HTR7 (0.69) HTR1AKMT2AMEN1MAPK1HTR7
Benzene SCHEMBL10433203 0.78 HTR1A (0.79) HTR1AKMT2AHTR7
SCHEMBL3160665 0.78 HTR1A (0.79) HTR1AKMT2AHTR7
SCHEMBL5794272 0.77 HTR1A (0.60) HTR1AKMT2AMEN1MAPK1HTR7
SCHEMBL17946603 0.77 CACNA1G (0.72) HTR1AKMT2AMEN1MAPK1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275670-A1 New Compounds VII BIOVITRUM AB (SE) 2011-11-10 US claimed
EP-2321276-A1 NEW COMPOUNDS VII AstraZeneca AB (SE) 2011-05-18 EP claimed
WO-2009147219-A1 NEW COMPOUNDS VII BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO claimed
EP-0395313-B1 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PROD (US) 1999-12-15 EP claimed
EP-0955296-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-10 EP claimed
US-4988814-A Antidepressants and/or anxiolytic agents AMERICAN HOME PRODUCTS CORP. (US) 1991-01-29 US claimed
EP-0395313-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-31 EP claimed
US-20110275670-A1 New Compounds VII BIOVITRUM AB (SE) 2011-11-10 US disclosed
EP-2321276-A1 NEW COMPOUNDS VII AstraZeneca AB (SE) 2011-05-18 EP disclosed
WO-2009147219-A1 NEW COMPOUNDS VII BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed
EP-0395313-B1 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PROD (US) 1999-12-15 EP disclosed
EP-0955296-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-10 EP disclosed
US-4988814-A Antidepressants and/or anxiolytic agents AMERICAN HOME PRODUCTS CORP. (US) 1991-01-29 US disclosed
EP-0395313-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-31 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-20110275670-A1 New Compounds VII GPR119, GLP1R, GIPR HTR1A 865/4885KMT2A 3896/4885MEN1 1843/4885

“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.