SCHEMBL6583004

SCHEMBL6583004

CN1CCC[C@H]1c1ccc(C#CC(=O)O)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
BLM P54132 1/20 0.48
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNA2 Q15822 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
PSIP1 O75475 1/20 0.46
TRPA1 O75762 1/20 0.46
HTR3B O95264 1/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
MAPT P10636 1/20 0.46
CHRNB1 P11230 1/20 0.46

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
SCHEMBL6583010 1.00 KDM4E (0.48) KDM4EBLMALOX15ALDH1A1CHRNA7
SCHEMBL6818552 0.82 GRM5 (0.47) KDM4EBLMALOX15
SCHEMBL6582956 0.80 ALDH1A1 (0.46) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL6582951 0.80 ALDH1A1 (0.46) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL6814104 0.80 KDM4E (0.42) KDM4EBLMALOX15
SCHEMBL6815035 0.79 KDM4E (0.41) KDM4EBLMALOX15
SCHEMBL6815030 0.79 KDM4E (0.41) KDM4EBLMALOX15
SCHEMBL6583042 0.79 CHRNB4 (0.55) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL6583046 0.79 CHRNB4 (0.55) ALDH1A1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL6818619 0.78 GRM5 (0.44) BLM

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
EP-1265888-B1 METHOD OF PRODUCING 6-SUBSTITUTED ( S )-NICOTINE DERIVATIVES AND INTERMEDIATE COMPOUNDS INDEPENDENT PHARMACEUTICA AB (SE) 2004-08-11 EP disclosed
US-6747156-B2 Method of producing 6-substituted (s)-nicotine derivatives and intermediate compounds INDEPENDENT PHARMACEUTICA AB (SE) 2004-06-08 US disclosed
US-20030187270-A1 Method of producing 6-substituted (s)-Nicotine derivatives and intermediate compounds INDEPENDENT PHARMACEUTICA AB (SE) 2003-10-02 US disclosed
EP-1265888-A1 METHOD OF PRODUCING 6-SUBSTITUTED ( i S /i )-NICOTINE DERIVATIVES AND INTERMEDIATE COMPOUNDS Independent pharmaceutica AB (SE) 2002-12-18 EP disclosed
WO-2001070730-A1 METHOD OF PRODUCING 6-SUBSTITUTED (S)-NICOTINE DERIVATIVES AND INTERMEDIATE COMPOUNDS INDEPENDENT PHARMACEUTICA AB (SE) 2001-09-27 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 (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-20030187270-A1 Method of producing 6-substituted (s)-Nicotine derivatives and intermediate compounds SMOX, SLC1A5, SLC43A1 KDM4E 3398/4885BLM 3347/4885ALOX15 2006/4885

“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.