SCHEMBL16284397

SCHEMBL16284397

CC(C)(C)c1cc(C(F)(F)F)ccc1CCCN

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.41
IDO1 P14902 2/20 0.41
CACNA1H O95180 1/20 0.40
DAO P14920 1/20 0.40
MAOB P27338 2/20 0.37
KIF11 P52732 1/20 0.36
PDE2A O00408 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
POLQ O75417 2/20 0.35
CES2 O00748 2/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL14850100 0.95 TAAR1 (0.40) TAAR1IDO1CACNA1HDAOMAOB
SCHEMBL10198680 0.85 DAO (0.40) IDO1DAOKIF11PDE2ACYP3A4
SCHEMBL14850394 0.84 S1PR1 (0.42) DAOKIF11PDE2ACYP3A4CYP2D6
SCHEMBL13202273 0.78 TAAR1 (0.44) TAAR1IDO1MAOBKIF11
SCHEMBL102128 0.78 CES2 (0.43) IDO1DAOKIF11PDE2ACYP3A4
SCHEMBL6815067 0.78 TAAR1 (0.52) TAAR1IDO1CACNA1HDAOMAOB
SCHEMBL13782 0.77 DAO (0.48) TAAR1IDO1DAOMAOB
SCHEMBL5221736 0.77 TAAR1 (0.43) TAAR1IDO1CACNA1HMAOBCYP3A4
SCHEMBL20150065 0.76 KIF11 (0.40) IDO1DAOKIF11PDE2ACYP3A4
SCHEMBL14850050 0.75 L3MBTL1 (0.40) TAAR1IDO1

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-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 US disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 US disclosed
US-9457027-B2 Compounds for use in treatment of mucostis CELLCEUTIX CORPORATION (US) 2016-10-04 US disclosed
US-20160213668-A1 Compounds for use in Treatment of Mucostis INNOVATION PHARMACEUTICALS INC. 2016-07-28 US disclosed
US-9155738-B2 Compounds for use in treatment of mucostitis CELLCEUTIX CORPORATION (US) 2015-10-13 US disclosed
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS INNOVATION PHARMACEUTICALS INC. 2014-12-11 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 (4 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-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 TAAR1 4726/4885IDO1 1723/4885CACNA1H 4842/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 TAAR1 4726/4885IDO1 1723/4885CACNA1H 4842/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI TAAR1 4831/4885IDO1 1135/4885CACNA1H 4862/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 TAAR1 3298/4885IDO1 2610/4885CACNA1H 4363/4885

“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.