SCHEMBL6488622

SCHEMBL6488622

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2cc[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.65
HTR3A P46098 1/20 0.55
SMYD3 Q9H7B4 3/20 0.55
MAPK11 Q15759 1/20 0.54
MAPK14 Q16539 1/20 0.54
KDM5A P29375 2/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ENPP2 Q13822 1/20 0.48
HSD17B10 Q99714 1/20 0.48
F10 P00742 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL6651844 1.00 CHRNA7 (0.65) CHRNA7HTR3ASMYD3MAPK11MAPK14
SCHEMBL6488630 1.00 CHRNA7 (0.65) CHRNA7HTR3ASMYD3MAPK11MAPK14
SCHEMBL6488440 0.94 CHRNA7 (0.69) CHRNA7HTR3ASMYD3MAPK11MAPK14
SCHEMBL6482341 0.92 CHRNA7 (0.63) CHRNA7HTR3ASMYD3MAPK11MAPK14
SCHEMBL6481419 0.92 CHRNA7 (0.63) CHRNA7HTR3ASMYD3MAPK11MAPK14
SCHEMBL6489878 0.86 CHRNA7 (0.58) CHRNA7HTR3ASMYD3MAPK11MAPK14
SCHEMBL6392146 0.83 CHRNA7 (0.67) CHRNA7HTR3ASMYD3
SCHEMBL6392138 0.83 CHRNA7 (0.67) CHRNA7HTR3ASMYD3
SCHEMBL6395366 0.83 CHRNA7 (0.58) CHRNA7MAPK14
SCHEMBL6395358 0.83 CHRNA7 (0.58) CHRNA7MAPK14

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-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
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

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 CHRNA7 2449/4885HTR3A 4302/4885SMYD3 2694/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 CHRNA7 2449/4885HTR3A 4302/4885SMYD3 2694/4885

“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.