SCHEMBL13072259

SCHEMBL13072259

Cc1ccc(-c2nc(C)n(CCC(C)(C)C(C)C)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP2 O95551 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
NR1H3 Q13133 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 1/20 0.34
AHR P35869 1/20 0.34
ALDH1A1 P00352 3/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
LIPE Q05469 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL13076689 0.89 NR1H3 (0.45) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL1041122 0.83 RAB9A (0.40) RAB9ASMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL4020084 0.76 RAB9A (0.44) RAB9ASMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL13596187 0.74 NR1H3 (0.49) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL12405420 0.74 NR1H3 (0.50) RAB9ASMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL3058686 0.74 F2 (0.39) RAB9ASMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL14133758 0.72 KDM4C (0.39) RAB9ASMN1; SMN2NPC1TDP2NR1H3
SCHEMBL14293751 0.72 NR1H3 (0.34) RAB9ASMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL1040692 0.72 NR1H3 (0.47) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL1037764 0.70 TDP2 (0.43) RAB9ASMN1; SMN2NPC1CYP1A2TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132743-A1 CORTICOSTEROID BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 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 (1 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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 RAB9A 3676/4885SMN1; SMN2 2544/4885NPC1 2658/4885

“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.