SCHEMBL1241934

SCHEMBL1241934

CN(C)CC#Cc1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.51
PYCR1 P32322 2/20 0.46
TAAR1 Q96RJ0 1/20 0.43
GRM5 P41594 1/20 0.41
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
ITK Q08881 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL28536924 0.80 CYP2A6 (0.53) CYP2A6PYCR1GRM5MAPK14ITK
SCHEMBL24040098 0.79 GRM5 (0.44) PYCR1TAAR1GRM5ALDH1A1MAPK1
SCHEMBL16942774 0.79 CYP2A6 (0.51) CYP2A6GRM5MAPK14ALDH1A1CHRNB2
SCHEMBL13242886 0.79 CYP2A6 (0.51) CYP2A6PYCR1MAPK14ALOX5
SCHEMBL1239417 0.77 PYCR1 (0.56) CYP2A6PYCR1TAAR1ALDH1A1
SCHEMBL8136691 0.77 CYP2A6 (0.61) CYP2A6PYCR1GRM5ALDH1A1KDM4E
SCHEMBL30450598 0.76 HRH3 (0.47) PYCR1GRM5ALDH1A1MAPK1CHRNB2
SCHEMBL13094169 0.76 CYP2A6 (0.49) CYP2A6PYCR1MAPK14ALDH1A1ITK
SCHEMBL1375869 0.76 GRM5 (0.53) TAAR1GRM5ALDH1A1MAPK1
SCHEMBL29779956 0.76 GRM5 (0.53) TAAR1GRM5ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
EP-2151447-A1 LINCOMYCIN DERIVATIVES AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-02-10 EP 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-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 CYP2A6 660/4885PYCR1 258/4885TAAR1 4340/4885

“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.