SCHEMBL1241077

SCHEMBL1241077

CN(C)CCc1cnc(S)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.37
HRH3 Q9Y5N1 3/20 0.37
CHRNA7 P36544 1/20 0.35
HRH1 P35367 1/20 0.34
HTR6 P50406 4/20 0.33
TAAR1 Q96RJ0 2/20 0.33
HTR2B P41595 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR7 P34969 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL24778830 0.78 HRH4 (0.59) HRH4HRH3CHRNA7HRH1HTR6
SCHEMBL12891057 0.73 HTR1D (0.36) HRH4HRH3CHRNA7HRH1HTR6
SCHEMBL6851114 0.70
SCHEMBL31457431 0.67 CHRNA7 (0.36) HRH4HRH3CHRNA7HTR6TAAR1
SCHEMBL10563288 0.67 TAAR1 (0.50) HRH3TAAR1
SCHEMBL1239352 0.65 HRH3 (0.76) HRH4HRH3HRH1
SCHEMBL31093424 0.65 HTR1B (0.70) HRH1HTR2A
SCHEMBL9054449 0.64 CHRNA7 (0.42) HRH4HRH3CHRNA7HRH1HTR6
SCHEMBL6048175 0.63 HTR2A (0.35) HRH4HRH3HTR6TAAR1HTR2B
SCHEMBL9053685 0.61 TAAR1 (0.38) HRH4HRH3CHRNA7TAAR1HTR2B

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 HRH4 2138/4885HRH3 2518/4885CHRNA7 4720/4885

“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.