SCHEMBL1241940

SCHEMBL1241940

CN(CCO)CCc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.62
SIGMAR1 Q99720 2/20 0.57
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PYCR1 P32322 4/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 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
SCHEMBL3034255 0.82 TAAR1 (0.77) TAAR1SIGMAR1KDM4EALDH1A1PYCR1
SCHEMBL15005592 0.82 CA2 (0.56) TAAR1SIGMAR1KDM4EALDH1A1THRA
SCHEMBL308505 0.82 KDM4E (0.62) TAAR1SIGMAR1KDM4EALDH1A1PYCR1
SCHEMBL3725858 0.81 SIGMAR1 (0.57) SIGMAR1ALDH1A1THRATHRBKCNH2
SCHEMBL6807356 0.80 SIGMAR1 (0.63) TAAR1SIGMAR1
SCHEMBL1241217 0.80 TAAR1 (0.67) TAAR1SIGMAR1KDM4EALDH1A1PYCR1
SCHEMBL1239197 0.77 TAAR1 (1.00) TAAR1SIGMAR1KDM4EALDH1A1PYCR1
SCHEMBL5131320 0.77 SIGMAR1 (0.42) TAAR1SIGMAR1ALDH1A1THRATHRB
SCHEMBL9628754 0.74 KCNH2 (0.65) SIGMAR1ALDH1A1THRBPYCR1KCNH2
SCHEMBL5638 0.74 CA2 (0.59) TAAR1KDM4EALDH1A1HTR2A

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 TAAR1 4340/4885SIGMAR1 1507/4885KDM4E 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.