SCHEMBL6480360

SCHEMBL6480360

CC(=O)c1cc2cc(C(=O)NC3CC4CC3CN4)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
BRCA1 P38398 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
CHRNA7 P36544 6/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37

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
SCHEMBL6480686 0.92 POLB (0.39) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL6480751 0.87 CHRNA7 (0.51) KDM4EPOLBCHRNA7HTR3EHTR3B
SCHEMBL6479418 0.83 CYP2A6 (0.38) POLBCHRNA7HTR3EHTR3BCYP2D6
SCHEMBL6489110 0.82 CYP2A6 (0.36) CHRNA7HTR3EHTR3BCYP2D6HTR3A
SCHEMBL6480723 0.81 LMNA (0.42) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL6481508 0.80 CHRNA7 (0.57) CHRNA7HTR3EHTR3BCYP2D6HTR3A
SCHEMBL843834 0.79 CHRNA7 (0.34) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL6388698 0.79 CHRNA7 (0.52) SMN1; SMN2RAB9ANPC1CHRNA7TAS1R3
SCHEMBL6489348 0.78 CHRNA7 (0.41) RAB9ANPC1CHRNA7HTR3EHTR3B
SCHEMBL6101484 0.78 SSTR3 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US claimed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP claimed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US claimed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US claimed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US disclosed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 KDM4E 1240/4885ALDH1A1 109/4885LMNA 2670/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 KDM4E 1240/4885ALDH1A1 109/4885LMNA 2670/4885

“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.