SCHEMBL92637

SCHEMBL92637

NCCc1cc(Br)cc(-c2cccc(-c3cc(Br)cc(CCN)c3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.58
MAOB P27338 5/20 0.46
HTR2A P28223 2/20 0.45
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HTR7 P34969 1/20 0.44
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL15138969 0.86 TAAR1 (0.53) TAAR1MAOBHTR2AHTR7DRD2
SCHEMBL10078124 0.83 TAAR1 (0.45) TAAR1MAOBHTR2AHRH1HRH4
SCHEMBL15274994 0.78 HTR7 (0.47) TAAR1MAOBHTR2AHTR7DRD2
SCHEMBL14143850 0.77 TAAR1 (0.41) TAAR1
SCHEMBL5705697 0.77 TAAR1 (0.60) TAAR1HTR2ADRD2DRD1CYP2A6
Hydrochloric Acid SCHEMBL5366344 0.76 TAAR1 (0.61) TAAR1MAOBHTR2AHTR7DRD2
Hydrochloric Acid SCHEMBL4409416 0.75 TAAR1 (0.58) TAAR1MAOBHTR2ADRD2DRD1
SCHEMBL10287770 0.75 TAAR1 (0.36) TAAR1
SCHEMBL16675049 0.75 CYP1A2 (0.42) CYP2A6SMN1; SMN2
SCHEMBL16675057 0.75 CYP1A2 (0.42) CYP2A6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322878-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. (US) 2012-12-20 US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 US disclosed
WO-2012158672-A2 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS POLYMEDIX, INC. (US) 2012-11-22 WO disclosed
US-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 US disclosed
US-8232428-B2 Polycationic compounds and uses thereof PolyMedix,Inc. (US) 2012-07-31 US disclosed
US-20120115877-A1 Facially Amphiphilic Compounds, Compositions, And Uses Thereof In Treating Cancer POLYMEDIX, INC. (US) 2012-05-10 US disclosed
US-8129566-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2012-03-06 US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 US disclosed
US-20110124664-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. (US) 2011-05-26 US disclosed
EP-2301349-A2 Facially amphiphilic polymers and oligomers, compositions thereof, and use thereof in methods of treating cancer The Trustees of The University of Pennsylvania (US) 2011-03-30 EP disclosed
US-20100298344-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. 2010-11-25 US disclosed
US-7745662-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2010-06-29 US disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 US disclosed
US-20090239811-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF POLYMEDIX, INC. (US) 2009-09-24 US disclosed
US-7553876-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2009-06-30 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 (9 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-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 TAAR1 4726/4885MAOB 3540/4885HTR2A 3984/4885
US-20120115877-A1 Facially Amphiphilic Compounds, Compositions, And Uses Thereof In Treating Cancer LIPA, ABHD16A, SGMS1 TAAR1 4003/4885MAOB 4461/4885HTR2A 4067/4885
US-20100298344-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF TAAR1 4736/4885MAOB 4273/4885HTR2A 4728/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 TAAR1 2693/4885MAOB 2535/4885HTR2A 1915/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 TAAR1 2693/4885MAOB 2535/4885HTR2A 1915/4885
US-20120322878-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF TAAR1 4736/4885MAOB 4273/4885HTR2A 4728/4885
US-20110124664-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF TAAR1 4736/4885MAOB 4273/4885HTR2A 4728/4885
US-20090239811-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF VEGFA, VHL, PGF TAAR1 4736/4885MAOB 4273/4885HTR2A 4728/4885
US-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 TAAR1 3166/4885MAOB 1906/4885HTR2A 1305/4885

“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.