SCHEMBL1242040

SCHEMBL1242040

CN(C)CCc1ccc(Br)nc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.57
HRH3 Q9Y5N1 5/20 0.50
CHRNA7 P36544 1/20 0.50
CYP11B1 P15538 1/20 0.40

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
SCHEMBL743701 0.80 CHRNB2 (0.47) TAAR1HRH3CYP11B1
SCHEMBL30408607 0.80 CHRNB2 (0.47) TAAR1HRH3CYP11B1
SCHEMBL14308133 0.78 CHRNA7 (0.56) TAAR1HRH3CHRNA7
SCHEMBL1874677 0.78 SMN1; SMN2 (0.46) CYP11B1
SCHEMBL14308147 0.77 HRH3 (0.50) TAAR1HRH3CHRNA7
SCHEMBL20758411 0.76 KDM4E (0.44) TAAR1HRH3CYP11B1
SCHEMBL2533763 0.75 CYP11B1 (0.44) CYP11B1
SCHEMBL1873497 0.74 RAB9A (0.60) CYP11B1
SCHEMBL13430063 0.74 CYP11B1 (0.41) CYP11B1
SCHEMBL12891054 0.74 CHRNA7 (0.47) TAAR1HRH3CHRNA7

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 4340/4885HRH3 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.