SCHEMBL10198852

SCHEMBL10198852

CN(C)CCNC(=O)c1cc(C(=O)NCCN(C)C)c(OCCCCCN)cc1OCCCCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.46
▸ MTNR1B P49286 2/20 0.46
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ CHEK2 O96017 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ UHRF1 Q96T88 1/20 0.39
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL12444102 0.95 MTNR1A (0.43) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL12515465 0.95 MTNR1A (0.43) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL19445539 0.92 MTNR1A (0.41) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL12515350 0.91 MAPK14 (0.41) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL10268065 0.91 MAPK14 (0.41) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL13351617 0.91 HTT (0.40) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL19445567 0.91 MTNR1A (0.41) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL16284392 0.89 MTNR1A (0.39) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL11947670 0.89 MTNR1A (0.39) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL21864682 0.89 MTNR1A (0.39) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1

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 29 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-8802683-B2 Compounds for use in treatment of mucositis CELLCEUTIX CORPORATION (US) 2014-08-12 — — 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
US-20110178104-A1 Anti-Heparin Compounds POLYMEDIX INC. (US) 2011-07-21 — — US disclosed
US-20110178104-A1 Anti-Heparin Compounds POLYMEDIX INC. (US) 2011-07-21 — — US disclosed
WO-2011084970-A1 ANTI-HEPARIN COMPOUNDS POLYMEDIX INC. (US) 2011-07-14 — — 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 MTNR1A 49/4885MTNR1B 79/4885HTT 4522/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 MTNR1A 49/4885MTNR1B 79/4885HTT 4522/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 MTNR1A 49/4885MTNR1B 79/4885HTT 4522/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 MTNR1A 748/4885MTNR1B 699/4885HTT 3818/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 MTNR1A 748/4885MTNR1B 699/4885HTT 3818/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI MTNR1A 129/4885MTNR1B 275/4885HTT 4281/4885
US-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 MTNR1A 2456/4885MTNR1B 2125/4885HTT 564/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 MTNR1A 49/4885MTNR1B 79/4885HTT 4522/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI MTNR1A 129/4885MTNR1B 275/4885HTT 4281/4885

“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.

Send feedback