SCHEMBL1848368

SCHEMBL1848368

Cc1cc(C(O)(c2ccccc2)c2ccccc2)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
PTGS2 P35354 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 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
SCHEMBL1848863 0.75 NOTUM (0.53) RAB9ANPC1KMT2AMEN1CYP19A1
SCHEMBL1089518 0.74 TRPM8 (0.38) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL1846992 0.74 NOTUM (0.37) RAB9ANPC1KMT2ACYP19A1CYP1A2
SCHEMBL3237836 0.74 NOTUM (0.51) RAB9ANPC1CYP19A1CYP2D6CYP2C19
SCHEMBL3230835 0.74 POLB (0.35) KMT2ACYP19A1ALDH1A1CYP1A2CYP2D6
SCHEMBL11825072 0.74 CYP19A1 (0.44) RAB9ANPC1KMT2AMEN1CYP19A1
SCHEMBL11826155 0.73 RORC (0.42) RAB9ANPC1KMT2AMEN1CYP19A1
SCHEMBL21664392 0.69 RAB9A (0.39) RAB9ANPC1KMT2AMEN1CYP19A1
SCHEMBL11008528 0.69 RAB9A (0.49) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL427051 0.69 ALDH1A1 (0.43) RAB9ANPC1ALDH1A1HTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2011-10-06 US disclosed
US-20110207770-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2011-08-25 US disclosed
EP-2323655-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT AstraZeneca AB (SE) 2011-05-25 EP disclosed
EP-2323656-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST AstraZeneca AB (SE) 2011-05-25 EP disclosed
WO-2010019097-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-02-18 WO disclosed
WO-2010018352-A1 HETEROCYCLIC COMPOUNDS USED IN THE TREATMENT OF DISEASES WHERE ENHANCED M3 RECEPTOR ACTIVATION IS IMPLICATED ARGENTA DISCOVERY LIMITED (GB) 2010-02-18 WO disclosed
WO-2010019098-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2010-02-18 WO disclosed
WO-2010015792-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA-2 RECEPTORS ARGENTA DISCOVERY LIMITED (GB) 2010-02-11 WO disclosed
WO-2010015792-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA-2 RECEPTORS ARGENTA DISCOVERY LIMITED (GB) 2010-02-11 WO disclosed
WO-2008096129-A1 NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 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 (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-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A RAB9A 2522/4885NPC1 2330/4885KMT2A 760/4885
US-20110207770-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT GRK5, GRK2, GRK4 RAB9A 2920/4885NPC1 3466/4885KMT2A 1506/4885

“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.