SCHEMBL6480026

SCHEMBL6480026

O=C(NC1CC2CC1CN2)c1ccc2cc[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.58
SMYD3 Q9H7B4 2/20 0.54
F10 P00742 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
ENPP2 Q13822 1/20 0.50
HTR3A P46098 1/20 0.49
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 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
SCHEMBL6488542 0.92 SMYD3 (0.55) CHRNA7SMYD3F10HTR3ATAS1R3
SCHEMBL6101484 0.84 SSTR3 (0.47)
SCHEMBL6389862 0.82 MAOB (0.47) CHRNA7ALDH1A1HPGDMAPK14HDAC1
SCHEMBL6099763 0.81 DEGS1 (0.39) CHRNA7
SCHEMBL6099482 0.80 F10 (0.45) CHRNA7F10HTR3AHDAC8
SCHEMBL843682 0.79 HDAC6 (0.42) CHRNA7SMYD3HTR3AHDAC6
SCHEMBL6480054 0.79 CHRNA7 (0.57) CHRNA7HTR3A
SCHEMBL6479979 0.79 CHRNA7 (0.57) CHRNA7HTR3A
SCHEMBL6481458 0.78 CHRNA7 (0.55) CHRNA7SMYD3F10ALDH1A1HSD17B10
SCHEMBL6392189 0.78 ROCK2 (0.53) MAPK14

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
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 CHRNA7 2449/4885SMYD3 2694/4885F10 3688/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 CHRNA7 2449/4885SMYD3 2694/4885F10 3688/4885

“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.