SCHEMBL6583046

SCHEMBL6583046

C#Cc1ccc(C2CCCN2C)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.55
CHRNA3 P32297 5/20 0.55
CHRNA1 P02708 4/20 0.55
CHRNB2 P17787 4/20 0.55
CHRNA4 P43681 4/20 0.55
CHRNA2 Q15822 3/20 0.55
CHRNG P07510 2/20 0.55
CHRNB1 P11230 2/20 0.55
CHRND Q07001 2/20 0.55
ALDH1A1 P00352 2/20 0.52
CHRNA7 P36544 2/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTR3E A5X5Y0 1/20 0.52
PSIP1 O75475 1/20 0.52
TRPA1 O75762 1/20 0.52
HTR3B O95264 1/20 0.52
MAPT P10636 1/20 0.52
CYP2A6 P11509 1/20 0.52
PTGS1 P23219 1/20 0.52

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
SCHEMBL6583042 1.00 CHRNB4 (0.55) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL30618802 0.80 ALDH1A1 (0.64) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL29766108 0.80 ALDH1A1 (0.64) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL6583004 0.79 KDM4E (0.48) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL6582951 0.79 ALDH1A1 (0.46) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL6582956 0.79 ALDH1A1 (0.46) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL6583010 0.79 KDM4E (0.48) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL5249340 0.78 CHRNA7 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL30866542 0.78 CHRNA7 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL157172 0.78 CHRNA7 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1079860-B1 NICOTINE IMMUNOGEN INDEPENDENT PHARMACEUTICA AB (SE) 2004-10-27 EP disclosed
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-6656469-B1 Treatment of nicotine dependence from tobacco products INDEPENDENT PHARMACEUTICA AB (SE) 2003-12-02 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
EP-1079860-A1 NICOTINE IMMUNOGEN Independent pharmaceutica AB (SE) 2001-03-07 EP disclosed
WO-1999061054-A1 NICOTINE IMMUNOGEN INDEPENDENT PHARMACEUTICA AB (SE) 1999-12-02 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 CHRNB4 63/4885CHRNA3 87/4885CHRNA1 123/4885

“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.