SCHEMBL1240985

SCHEMBL1240985

CN(Cc1ccc(Br)cc1)CC1CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 6/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CXCR3 P49682 2/20 0.44
LSS P48449 4/20 0.43
TAAR1 Q96RJ0 1/20 0.41
TP53 P04637 1/20 0.39

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
SCHEMBL16826120 0.89 PYCR1 (0.45) PYCR1MAOBKDM4EALDH1A1CXCR3
SCHEMBL16327151 0.83 PYCR1 (0.50) PYCR1CXCR3LSS
SCHEMBL4267535 0.81 CXCR3 (0.41) MAOBALDH1A1CXCR3LSS
SCHEMBL17887960 0.81 PYCR1 (0.51) PYCR1CXCR3TAAR1
SCHEMBL14045705 0.81 ALDH1A1 (0.52) PYCR1MAOBKDM4EALDH1A1
SCHEMBL12215364 0.80 PYCR1 (0.50) PYCR1MAOBKDM4EALDH1A1CXCR3
SCHEMBL15128047 0.80 PYCR1 (0.67) PYCR1MAOBKDM4EALDH1A1CXCR3
SCHEMBL12891100 0.79 EP300 (0.47) PYCR1CXCR3LSS
SCHEMBL26668497 0.78 EP300 (0.46) CXCR3LSS
SCHEMBL8283980 0.75 ALDH1A1 (0.46) PYCR1MAOBKDM4EALDH1A1

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 PYCR1 258/4885MAOB 3894/4885KDM4E 3818/4885

“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.