SCHEMBL1239352

SCHEMBL1239352

CN(C)CCc1cnc[nH]1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.76
HRH4 Q9H3N8 9/20 0.76
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
KMT2A Q03164 1/20 0.60
HRH2 P25021 2/20 0.55
HRH1 P35367 2/20 0.55
LMNA P02545 1/20 0.55
MIF P14174 1/20 0.55
TSHR P16473 1/20 0.55
APEX1 P27695 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL31157562 0.85 HRH3 (1.00) HRH3HRH4HRH2HRH1
SCHEMBL17383815 0.82 HRH3 (0.60) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL8963903 0.79 HRH3 (0.73) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL18947719 0.78
SCHEMBL13464166 0.76 QPCT (0.53) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL8963886 0.75 HRH3 (0.75) HRH3HRH4HRH2HRH1LMNA
SCHEMBL8964986 0.75 HRH3 (0.79) HRH3HRH4HRH2HRH1
SCHEMBL18880433 0.75 TAAR1 (0.61) HRH3HRH4
Hydrochloric Acid SCHEMBL1696889 0.73 HRH3 (0.96) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL28277441 0.73 HRH3 (0.49) HRH3HRH4

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 HRH3 2518/4885HRH4 2138/4885MEN1 977/4885

“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.