SCHEMBL2403061

SCHEMBL2403061

NCCCNC(CCN)Cc1cccc(CC(CCN)NCCCN)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 10/20 0.44
▸ MC4R P32245 1/20 0.37
▸ MC5R P33032 1/20 0.37
▸ MC3R P41968 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CHRNA1 P02708 3/20 0.34
▸ CHRNG P07510 3/20 0.34
▸ CHRNB1 P11230 3/20 0.34
▸ CHRND Q07001 3/20 0.34
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL16247089 0.98 SIGMAR1 (0.43) SIGMAR1MC4RMC5RMC3RMEN1
SCHEMBL16429434 0.94 CHRNA1 (0.41) SIGMAR1MC4RMC5RMC3RCHRNA1
SCHEMBL18223042 0.91 SIGMAR1 (0.39) SIGMAR1MC4RMC5RMC3RMEN1
SCHEMBL18223038 0.90 SIGMAR1 (0.38) SIGMAR1MC4RMC5RMC3RMEN1
SCHEMBL15287732 0.89 SIGMAR1 (0.47) SIGMAR1MEN1KMT2ACHRNA1CHRNG
SCHEMBL16266913 0.86 SIGMAR1 (0.45) SIGMAR1MC4RMC5RMC3RMEN1
SCHEMBL15287524 0.84 SIGMAR1 (0.43) SIGMAR1MC4RMC5RMC3RCHRNA1
SCHEMBL16428941 0.83 SIGMAR1 (0.43) SIGMAR1MC4RMC5RMC3RMEN1
SCHEMBL16247109 0.83 SIGMAR1 (0.40) SIGMAR1MEN1KMT2ATP53CYP1A2
Hydrochloric Acid SCHEMBL16247175 0.82 SIGMAR1 (0.42) SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10440955-B2 Methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2019-10-15 — — US disclosed
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2018-05-10 — — US disclosed
EP-2539389-B1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA INC (US) 2017-12-20 — — EP disclosed
US-9839219-B2 Compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2017-12-12 — — US disclosed
US-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. 2017-09-14 — — US disclosed
US-9655920-B2 Amine polymers for use as bile acid sequestrants RELYPSA, INC. (US) 2017-05-23 — — US disclosed
US-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE CURZA GLOBAL, LLC 2016-11-17 — — US disclosed
US-9439433-B2 Compositions and methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2016-09-13 — — US disclosed
EP-2999345-A1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE Curza Global LLC (US) 2016-03-30 — — EP disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 — — US disclosed
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2014-12-04 — — US disclosed
WO-2014190096-A1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE CURZA GLOBAL, LLC (US) 2014-11-27 — — WO disclosed
EP-2539389-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2013-01-02 — — EP disclosed
WO-2011106548-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2011-09-01 — — 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 (6 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-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 SIGMAR1 1301/4885MC4R 775/4885MC5R 857/4885
US-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE SRM, SMS, SMOX SIGMAR1 1551/4885MC4R 4796/4885MC5R 4354/4885
US-20140356316-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 SIGMAR1 1301/4885MC4R 775/4885MC5R 857/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS SIGMAR1 1642/4885MC4R 4823/4885MC5R 4385/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS SIGMAR1 1771/4885MC4R 4831/4885MC5R 4420/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS SIGMAR1 1771/4885MC4R 4831/4885MC5R 4420/4885

“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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