SCHEMBL3034255

SCHEMBL3034255

CN(C)CCN(C)CCc1ccc(Br)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.77
SIGMAR1 Q99720 3/20 0.58
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 2/20 0.56
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
HRH3 Q9Y5N1 3/20 0.52
KDM4E B2RXH2 1/20 0.49
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL1239197 0.87 TAAR1 (1.00) TAAR1SIGMAR1ALDH1A1HRH3KDM4E
SCHEMBL1241940 0.82 TAAR1 (0.62) TAAR1SIGMAR1ALDH1A1CYP1A2HRH3
SCHEMBL1241217 0.82 TAAR1 (0.67) TAAR1SIGMAR1ALDH1A1HRH3KDM4E
SCHEMBL18762839 0.75 HRH3 (0.84) TAAR1SIGMAR1ALDH1A1CYP1A2MEN1
SCHEMBL10024123 0.73 TAAR1 (0.66) TAAR1SIGMAR1HRH3HTR2AKCNH2
SCHEMBL3041674 0.73 TAAR1 (0.66) TAAR1SIGMAR1CYP2C19HRH3CA12
SCHEMBL7217896 0.73 SIGMAR1 (0.97) SIGMAR1CYP1A2TP53CYP3A4CYP2D6
SCHEMBL12215371 0.73 TAAR1 (0.55) TAAR1SIGMAR1ALDH1A1MAPTHRH3
SCHEMBL26456364 0.72 HRH3 (0.64) TAAR1SIGMAR1ALDH1A1CYP1A2MEN1
SCHEMBL16438514 0.72 TAAR1 (0.58) TAAR1MAPTKMT2AHRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1507/4885ALDH1A1 3224/4885

“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.