SCHEMBL10316935

SCHEMBL10316935

c1ccc(CN2CCCNCCN(Cc3ccccc3)CCCNCC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.85
CXCR4 P61073 13/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
CHRM2 P08172 1/20 0.77
CHRM1 P11229 1/20 0.77
ADRA2C P18825 1/20 0.77
CCR2 P41597 1/20 0.77
CXCL12 P48061 1/20 0.77
BLM P54132 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
HRH3 Q9Y5N1 1/20 0.77
ALDH1A1 P00352 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
HIF1A Q16665 1/20 0.60
CYP2D6 P10635 1/20 0.58

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
SCHEMBL255099 1.00 SIGMAR1 (0.85) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL31616422 0.98 SIGMAR1 (0.82) SIGMAR1CXCR4MEN1KMT2ACHRM2
Hydrochloric Acid SCHEMBL7422770 0.98 SIGMAR1 (0.82) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL3994310 0.96 CXCR4 (0.83) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL3779720 0.96 CXCR4 (0.78) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL30641657 0.95 CXCR4 (0.81) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL6632216 0.95 SIGMAR1 (0.82) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL15046526 0.94 CXCR4 (0.75) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL3999326 0.93 CXCR4 (0.79) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL15043649 0.93 SIGMAR1 (0.85) SIGMAR1CXCR4MEN1KMT2ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377504-B1 CYCLAM BASED COMPOUNDS, THEIR CONJUGATES, CO-ORDINATION COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, METHOD OF PREPARATION AND USE THEREOF UNIV KARLOVA (CZ) 2020-08-19 EP claimed
EP-3377504-A1 CYCLAM BASED COMPOUNDS, THEIR CONJUGATES, CO-ORDINATION COMPOUNDS, PHARMACEUTICAL COMPOSITION CONTAINING THEREOF, METHOD OF PREPARATION AND USE THEREOF Univerzita Karlova (CZ) 2018-09-26 EP claimed
EP-3377504-B1 CYCLAM BASED COMPOUNDS, THEIR CONJUGATES, CO-ORDINATION COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, METHOD OF PREPARATION AND USE THEREOF UNIV KARLOVA (CZ) 2020-08-19 EP disclosed
CN-110678536-A Coated particles, use thereof and washing and cleaning agents containing same 韦尔化学威斯巴登有限公司 2020-01-10 CN disclosed
EP-2476683-B1 NOVEL TETRA-AZA MACROCYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF KYUNGPOOK NAT UNIV IND ACADEMIC COOP FOUND (KR) 2019-04-03 EP disclosed
EP-2476683-B1 NOVEL TETRA-AZA MACROCYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF KYUNGPOOK NAT UNIV IND ACADEMIC COOP FOUND (KR) 2019-04-03 EP disclosed
EP-3377504-A1 CYCLAM BASED COMPOUNDS, THEIR CONJUGATES, CO-ORDINATION COMPOUNDS, PHARMACEUTICAL COMPOSITION CONTAINING THEREOF, METHOD OF PREPARATION AND USE THEREOF Univerzita Karlova (CZ) 2018-09-26 EP disclosed
US-9353120-B2 Tetraaza macrocyclic compound, preparation method thereof and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-05-31 US disclosed
US-9353120-B2 Tetraaza macrocyclic compound, preparation method thereof and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-05-31 US disclosed
US-9353120-B2 Tetraaza macrocyclic compound, preparation method thereof and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-05-31 US disclosed
US-9233971-B2 Lipomacrocycles and uses thereof AGAVE PHARMA, INCORPORATED 2016-01-12 US disclosed
US-9061078-B2 Tetraaza macrocyclic compound, preparation method thereof and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-06-23 US disclosed
US-9061078-B2 Tetraaza macrocyclic compound, preparation method thereof and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-06-23 US disclosed
US-20130156851-A1 LIPOMACROCYCLES AND USES THEREOF AGAVE PHARMA, INCORPORATED 2013-06-20 US disclosed
US-20130156851-A1 LIPOMACROCYCLES AND USES THEREOF AGAVE PHARMA, INCORPORATED 2013-06-20 US disclosed
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2012-08-30 US disclosed
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2012-08-30 US disclosed
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2012-08-30 US disclosed
EP-2476683-A2 NOVEL TETRA-AZA MACROCYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF Kyungpook National University Industry- Academic Cooperation Foundation (KR) 2012-07-18 EP disclosed
EP-2476683-A2 NOVEL TETRA-AZA MACROCYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF Kyungpook National University Industry- Academic Cooperation Foundation (KR) 2012-07-18 EP 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 (2 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-20130156851-A1 LIPOMACROCYCLES AND USES THEREOF LIPC, LIPA, LIPE SIGMAR1 3061/4885CXCR4 373/4885MEN1 1689/4885
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF TBCA, NBAS, BMP2 SIGMAR1 4607/4885CXCR4 2613/4885MEN1 50/4885

“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.