SCHEMBL14850100

SCHEMBL14850100

CC(C)(C)c1cc(C(F)(F)F)ccc1CCCCN

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.40
IDO1 P14902 2/20 0.40
DAO P14920 1/20 0.39
CACNA1H O95180 1/20 0.36
MAOB P27338 2/20 0.36
KIF11 P52732 1/20 0.35
PDE2A O00408 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
POLQ O75417 2/20 0.35
S1PR1 P21453 1/20 0.34
SLC7A5 Q01650 1/20 0.33
HTR1D P28221 1/20 0.33

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
SCHEMBL16284397 0.95 TAAR1 (0.41) TAAR1IDO1DAOCACNA1HMAOB
SCHEMBL14850394 0.86 S1PR1 (0.42) DAOKIF11PDE2ACYP3A4CYP2D6
SCHEMBL10198680 0.84 DAO (0.40) IDO1DAOKIF11PDE2ACYP3A4
SCHEMBL5221736 0.82 TAAR1 (0.43) TAAR1IDO1CACNA1HMAOBCYP3A4
SCHEMBL13782 0.82 DAO (0.48) TAAR1IDO1DAOMAOBSLC7A5
SCHEMBL23891924 0.80 IDO1 (0.56) TAAR1IDO1DAOMAOBPDE2A
SCHEMBL14236 0.78 KDM4E (0.35) KIF11S1PR1
SCHEMBL14850099 0.78 SLC7A5 (0.39) MAOBKIF11SLC7A5
SCHEMBL102128 0.76 CES2 (0.43) IDO1DAOKIF11PDE2ACYP3A4
SCHEMBL6815067 0.76 TAAR1 (0.52) TAAR1IDO1DAOCACNA1HMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US 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 (2 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT TAAR1 4463/4885IDO1 1215/4885DAO 143/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT TAAR1 4463/4885IDO1 1215/4885DAO 143/4885

“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.