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SCHEMBL501922

SCHEMBL501922

CN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.73
▸ RAB9A P51151 2/20 0.73
▸ MEN1 O00255 2/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ CCR2 P41597 3/20 0.71
▸ KCNH2 Q12809 3/20 0.71
▸ SMN1; SMN2 Q16637 5/20 0.69
▸ LMNA P02545 2/20 0.69
▸ HTT P42858 2/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.62
▸ HPGD P15428 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.60
▸ MAPT P10636 5/20 0.60
▸ TP53 P04637 2/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ POLB P06746 1/20 0.60

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
SCHEMBL27979643 0.92 MEN1 (0.84) NPC1RAB9AMEN1KMT2ACCR2
SCHEMBL24381983 0.87 HTT (0.58) NPC1RAB9AMEN1KMT2ACCR2
SCHEMBL3952693 0.87 MAPT (0.77) NPC1RAB9AMEN1KMT2ACCR2
SCHEMBL29620023 0.87 HTT (0.58) NPC1RAB9AMEN1KMT2ACCR2
SCHEMBL27695779 0.85 HTR1A (0.67) CCR2KCNH2SMN1; SMN2L3MBTL1MAPT
SCHEMBL1943075 0.84 CCR2 (1.00) NPC1RAB9AMEN1KMT2ACCR2
SCHEMBL1942083 0.84 CCR2 (0.78) CCR2KCNH2CYP3A4CYP2D6
SCHEMBL1943276 0.83 MEN1 (0.74) NPC1RAB9AMEN1KMT2ACCR2
SCHEMBL13234926 0.83 LMNA (0.67) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16256935 0.83 STS (0.64) NPC1RAB9AMEN1KMT2ACCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791110-B2 Anti-arenaviral compounds SIGA TECHNOLOGIES, INC. (US) 2014-07-29 — — US disclosed
US-8791110-B2 Anti-arenaviral compounds SIGA TECHNOLOGIES, INC. (US) 2014-07-29 — — US disclosed
US-8518951-B2 Anti-arenaviral compounds SIGA TECHNOLOGIES, INC. (US) 2013-08-27 — — US disclosed
US-8518951-B2 Anti-arenaviral compounds SIGA TECHNOLOGIES, INC. (US) 2013-08-27 — — US disclosed
US-20120308519-A1 Anti-Arenaviral Compounds SIGA TECHNOLOGIES, INC. (US) 2012-12-06 — — US disclosed
US-20120308519-A1 Anti-Arenaviral Compounds SIGA TECHNOLOGIES, INC. (US) 2012-12-06 — — US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 — — US disclosed
US-20120107276-A1 Anti-Arenaviral Compounds SIGA TECHNOLOGIES, INC. (US) 2012-05-03 — — US disclosed
US-20120107276-A1 Anti-Arenaviral Compounds SIGA TECHNOLOGIES, INC. (US) 2012-05-03 — — US disclosed
US-8106058-B2 Anti-arenaviral compounds SIGA TECHNOLOGIES, INC. (US) 2012-01-31 — — US disclosed
US-8106058-B2 Anti-arenaviral compounds SIGA TECHNOLOGIES, INC. (US) 2012-01-31 — — US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 — — US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 — — US disclosed
US-20090180980-A1 Anti-Arenaviral Compunds SIGA TECHNOLOGIES, INC. (US) 2009-07-16 — — US disclosed
US-20090180980-A1 Anti-Arenaviral Compunds SIGA TECHNOLOGIES, INC. (US) 2009-07-16 — — US disclosed
US-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-05-07 — — US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 — — US disclosed
US-7485646-B2 Serotonin 5-HT3 receptor agonist RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-02-03 — — US disclosed
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-11-15 — — US disclosed
EP-1798227-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST Research Foundation Itsuu Laboratory (JP) 2007-06-20 — — 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 (8 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-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 NPC1 1260/4885RAB9A 3914/4885MEN1 4557/4885
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 NPC1 1260/4885RAB9A 3914/4885MEN1 4557/4885
US-20120107276-A1 Anti-Arenaviral Compounds ZC3HAV1, CNBP, EIF2AK2 NPC1 461/4885RAB9A 3971/4885MEN1 4791/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 NPC1 1577/4885RAB9A 4032/4885MEN1 4638/4885
US-20090180980-A1 Anti-Arenaviral Compunds ZC3HAV1, EIF2AK2, CNBP NPC1 797/4885RAB9A 4246/4885MEN1 4358/4885
US-20120308519-A1 Anti-Arenaviral Compounds ZC3HAV1, CNBP, EIF2AK2 NPC1 461/4885RAB9A 3971/4885MEN1 4791/4885
US-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST HTR3A, HTR7, HTR1A NPC1 3926/4885RAB9A 849/4885MEN1 2589/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A NPC1 3926/4885RAB9A 849/4885MEN1 2589/4885

“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.