SCHEMBL3109449

SCHEMBL3109449

Cn1c(Nc2cc(CNC(=O)C3(C)CCCC3)ccc2Cl)nc2cc(C(=O)NCC3CCCCC3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.54
CCR3 P51677 3/20 0.41
KCNH2 Q12809 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
PRSS12 P56730 1/20 0.38
PPARG P37231 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
P2RX7 Q99572 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL3100803 1.00 PTGES (0.54) PTGESCCR3KCNH2CACNA1IPRSS12
SCHEMBL3111197 0.98 PTGES (0.54) PTGESCCR3KCNH2CACNA1IPRSS12
SCHEMBL11894984 0.92 PTGES (0.47) PTGESCCR3KCNH2PPARGKDM4E
SCHEMBL3099237 0.90 PTGES (0.46) PTGESALDH1A1THRBHPGD
SCHEMBL3106626 0.90 PTGES (0.52) PTGESCCR3KCNH2CACNA1IPRSS12
SCHEMBL3093257 0.90 PTGES (0.67) PTGESCCR3KCNH2CACNA1IPRSS12
SCHEMBL3101879 0.89 PTGES (0.47) PTGESKDM4EALDH1A1HPGD
SCHEMBL3108313 0.87 PTGES (0.43) PTGESALDH1A1HDAC6NAMPT
SCHEMBL15385129 0.87 PTGES (0.47) PTGESALDH1A1THRBHPGD
SCHEMBL3101603 0.86 PTGES (0.48) PTGESCCR3KCNH2CACNA1IPRSS12

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-20220218670-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION GESYNTA PHARMA AB (SE) 2022-07-14 US disclosed
US-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION GESYNTA PHARMA AB (SE) 2019-02-07 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US 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 (5 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885CCR3 274/4885KCNH2 415/4885
US-20220218670-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 PTGES 4/4885CCR3 962/4885KCNH2 1724/4885
US-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 PTGES 4/4885CCR3 962/4885KCNH2 1724/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885CCR3 274/4885KCNH2 415/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885CCR3 274/4885KCNH2 415/4885

“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.