SCHEMBL14948384

SCHEMBL14948384

CC[N+](CC)(CC)Cc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
PYCR1 P32322 4/20 0.35
CHRNA7 P36544 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAOB P27338 1/20 0.33
HTR2A P28223 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL29923478 0.90 TAAR1 (0.40) TAAR1KDM4EALDH1A1PYCR1CHRNA7
Bromide SCHEMBL17180522 0.88 TAAR1 (0.39) TAAR1KDM4EALDH1A1PYCR1CHRNA7
SCHEMBL14948386 0.82 KDM4E (0.43) TAAR1KDM4EALDH1A1PYCR1MAPT
SCHEMBL14948315 0.82 ALDH1A1 (0.38) TAAR1KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL14948388 0.82 ALDH1A1 (0.43) KDM4EALDH1A1CHRNA7MAPTCYP1A2
SCHEMBL4795994 0.78 TSHR (0.41) KDM4EALDH1A1CHRNA7CYP1A2
SCHEMBL12514357 0.77 TAAR1 (0.45) TAAR1KDM4EALDH1A1PYCR1MAPT
SCHEMBL17166204 0.77 TAAR1 (0.45) TAAR1KDM4EALDH1A1PYCR1MAPT
SCHEMBL30367150 0.77 TAAR1 (0.45) TAAR1KDM4EALDH1A1PYCR1MAPT
SCHEMBL14948491 0.76 KCNH2 (0.51) TAAR1KDM4EALDH1A1CHRNA7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944593-B2 Process for the synthesis of fluoralkyl sulfonate salts SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2018-04-17 US disclosed
US-20160237028-A1 PROCESS FOR THE SYNTHESIS OF FLUORALKYL SULFONATE SALTS SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2016-08-18 US disclosed
EP-3052474-A1 PROCESS FOR THE SYNTHESIS OF FLUORALKYL SULFONATE SALTS Solvay Specialty Polymers Italy S.p.A. (IT) 2016-08-10 EP disclosed
US-9184388-B2 Layered structure, electronic device using same, aromatic compound, and method for manufacturing said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-10 US disclosed
WO-2015049239-A1 PROCESS FOR THE SYNTHESIS OF FLUORALKYL SULFONATE SALTS SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2015-04-09 WO disclosed
US-20130119369-A1 LAYERED STRUCTURE, ELECTRONIC DEVICE USING SAME, AROMATIC COMPOUND, AND METHOD FOR MANUFACTURING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-16 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 (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-20160237028-A1 PROCESS FOR THE SYNTHESIS OF FLUORALKYL SULFONATE SALTS PFAS, SRM, GMPS TAAR1 1641/4885KDM4E 2503/4885ALDH1A1 2897/4885

“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.