SCHEMBL10198677

SCHEMBL10198677

Cc1cc(C#Cc2cccc(C#Cc3cc(Br)cc(CCN)c3)c2)cc(CCN)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.45
FFAR1 O14842 3/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
HTR2A P28223 1/20 0.35
GRM5 P41594 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
TACR1 P25103 2/20 0.34
HTR7 P34969 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
SCHEMBL85784 0.91 TAAR1 (0.53) TAAR1FFAR1CYP2A6HTR2A
SCHEMBL13962406 0.83 TAAR1 (0.36) TAAR1FFAR1GRM5CA12CA1
SCHEMBL10078124 0.81 TAAR1 (0.45) TAAR1HTR2AHTR7
SCHEMBL15805926 0.80 TAAR1 (0.42) TAAR1FFAR1CYP2A6HTR2A
SCHEMBL6907499 0.77 TAAR1 (0.50) TAAR1CYP1A2CYP2A6HTR2ATACR1
SCHEMBL10119152 0.75 TAAR1 (0.38) TAAR1
Hydrochloric Acid SCHEMBL29548682 0.75 TAAR1 (0.48) TAAR1CYP1A2CYP2A6HTR2ATACR1
Hydrochloric Acid SCHEMBL6913336 0.75 TAAR1 (0.48) TAAR1CYP1A2CYP2A6HTR2ATACR1
SCHEMBL16169717 0.74 GRM5 (0.34) FFAR1GRM5CA12CA1CA2
SCHEMBL10198719 0.72 TAAR1 (0.38) TAAR1FFAR1GRM5

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 13 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-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 US disclosed
US-20160287586-A1 COMPOUNDS AND METHODS FOR TREATING CANDIDIASIS AND ASPERGILLUS INFECTIONS CELLCEUTIX CORPORATION 2016-10-06 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
US-8802683-B2 Compounds for use in treatment of mucositis CELLCEUTIX CORPORATION (US) 2014-08-12 US disclosed
US-20130252964-A1 Compounds And Methods For Treating Candidiasis And Aspergillus Infections POLYMEDIX, INC. (US) 2013-09-26 US disclosed
WO-2013109827-A1 COMPOUNDS AND METHODS FOR TREATING CANDIDIASIS AND ASPERGILLUS INFECTIONS POLYMEDIX, INC. (US) 2013-07-25 WO disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 US disclosed
US-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 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 (8 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-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 TAAR1 4726/4885FFAR1 2257/4885CYP1A2 3438/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 TAAR1 4726/4885FFAR1 2257/4885CYP1A2 3438/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 TAAR1 2693/4885FFAR1 1192/4885CYP1A2 3099/4885
US-20130252964-A1 Compounds And Methods For Treating Candidiasis And Aspergillus Infections ERG28, DPM1, MANBA TAAR1 3777/4885FFAR1 3621/4885CYP1A2 218/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 TAAR1 2693/4885FFAR1 1192/4885CYP1A2 3099/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI TAAR1 4831/4885FFAR1 3257/4885CYP1A2 2263/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 TAAR1 3298/4885FFAR1 2021/4885CYP1A2 3404/4885
US-20160287586-A1 COMPOUNDS AND METHODS FOR TREATING CANDIDIASIS AND ASPERGILLUS INFECTIONS ERG28, DPM1, MANBA TAAR1 3777/4885FFAR1 3621/4885CYP1A2 218/4885

“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.