SCHEMBL10198620

SCHEMBL10198620

NCCCc1cccc(-c2ccc3[nH]c4ccc(-c5cccc(CCCN)c5)cc4c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ MAOB P27338 2/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ TLR8 Q9NR97 2/20 0.37
▸ TLR7 Q9NYK1 2/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37

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
SCHEMBL15274972 0.90 HTR7 (0.47) AKT2HTR7MAP4K4GRIN2DGRIN3B
SCHEMBL10198622 0.83 FGFR2 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21591 0.81 HTR7 (0.39) HTR7MAP4K4MAOACYP1A2CYP2D6
SCHEMBL15138999 0.81 MAOA (0.50) HTR7MAOACYP1A2CYP2D6CYP2C19
SCHEMBL22005263 0.81 CTSV (0.44) TLR8TLR7TLR9
SCHEMBL22171 0.78 CYP1A2 (0.63) HTR7MAP4K4MAOACYP1A2CYP2D6
SCHEMBL29706557 0.78 MAOA (0.57) HTR7MAOACYP1A2CYP2D6CYP2C19
SCHEMBL4035870 0.78 MAOA (0.57) HTR7MAOACYP1A2CYP2D6CYP2C19
SCHEMBL15139006 0.78 TLR8 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13400054 0.77 HTR7 (0.38) HTR7MAP4K4MAOACYP1A2CYP2D6

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10603294-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2020-03-31 — — US disclosed
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. 2019-09-19 — — US disclosed
US-10206894-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2019-02-19 — — US disclosed
US-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 — — US disclosed
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-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 — — US disclosed
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 — — US disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 — — US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 — — US 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-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
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 — — US disclosed
WO-2012006315-A2 METHODS OF IMMUNE MODULATION POLYMEDIX, INC. (US) 2012-01-12 — — WO disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 — — US disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 — — US disclosed
WO-2010014573-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. (US) 2010-02-04 — — WO 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-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 AKT2 3715/4885HTR7 3426/4885MAP4K4 4636/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 AKT2 3715/4885HTR7 3426/4885MAP4K4 4636/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 AKT2 3715/4885HTR7 3426/4885MAP4K4 4636/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 AKT2 2375/4885HTR7 4117/4885MAP4K4 2362/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 AKT2 2375/4885HTR7 4117/4885MAP4K4 2362/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI AKT2 3939/4885HTR7 4037/4885MAP4K4 4583/4885
US-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 AKT2 3024/4885HTR7 2785/4885MAP4K4 2021/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 AKT2 3715/4885HTR7 3426/4885MAP4K4 4636/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI AKT2 3939/4885HTR7 4037/4885MAP4K4 4583/4885

“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.

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