SCHEMBL2069858

SCHEMBL2069858

Cc1nc(-c2ccc(Cl)cc2)sc1COC1CCCNC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.52
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRM3 P20309 1/20 0.44
CHRNA4 P43681 1/20 0.44
FFAR1 O14842 1/20 0.41
PPARD Q03181 1/20 0.41
RAB9A P51151 2/20 0.40
CHEK1 O14757 1/20 0.38
ALOX5 P09917 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAPT P10636 5/20 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
SCHEMBL2069857 1.00 PPARA (0.52) PPARACHRM2CHRM1CHRNB2CHRM3
SCHEMBL2070577 0.83 CHRNB2 (0.43) PPARACHRM2CHRM1CHRNB2CHRM3
SCHEMBL2069846 0.77 CHRNB2 (0.54) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL13886623 0.76 CHRNB2 (0.58) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL2069572 0.75 CHEK1 (0.49) PPARAFFAR1RAB9ACHEK1KDM4E
SCHEMBL3889664 0.74 TP53 (0.46) PPARAFFAR1RAB9ACHEK1KDM4E
SCHEMBL2070135 0.74 FFAR1 (0.41) PPARAFFAR1PPARDRAB9AALOX5
Hydrochloric Acid SCHEMBL2069674 0.74 TP53 (0.46) PPARAFFAR1RAB9ACHEK1KDM4E
SCHEMBL2069948 0.72 PPARA (0.61) PPARAFFAR1PPARDRAB9AMEN1
SCHEMBL2069970 0.72 PPARA (0.61) PPARAFFAR1PPARDRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-1862464-A1 NOVEL CYCLIC AMINOPHENYLALKANOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-12-05 EP disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 EP disclosed
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 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-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative PPARA, PPARD, PPARG PPARA 1/4885CHRM2 1907/4885CHRM1 2753/4885
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative PPARA, PPARG, PPARD PPARA 1/4885CHRM2 969/4885CHRM1 696/4885

“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.