SCHEMBL1120899

SCHEMBL1120899

COc1ccc2c(C)nn(Cc3ccccc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.58
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SLC22A12 Q96S37 4/20 0.52
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
PLA2G2A P14555 2/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PLA2G10 O15496 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL11977363 0.83 SLC22A12 (0.70) SLC22A12
SCHEMBL16533912 0.82 KMO (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL177096 0.80 SLC22A12 (0.51) SLC22A12PLA2G2AL3MBTL1POLBKDM4E
SCHEMBL1553707 0.80 SLC22A12 (0.63) SLC22A12PTGDR2
SCHEMBL22912879 0.80 SLC22A12 (0.67) SLC22A12PTGDR2
SCHEMBL13777341 0.79 L3MBTL1 (0.62) PDE5ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1553851 0.78 SLC22A12 (0.58) SLC22A12POLBKMT2A
SCHEMBL14487582 0.78 SLC22A12 (0.52) SLC22A12KMT2APTGDR2
Ammonia Solution, Strong SCHEMBL905842 0.77 ADORA2A (0.59) SLC22A12
SCHEMBL1554436 0.77 SLC22A12 (0.51) SLC22A12PTGDR2

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
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP disclosed
US-7598284-B2 Indazole compounds as B3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-06 US disclosed
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed
EP-1447400-B1 BICYCLIC COMPOUND ASAHI KASEI PHARMA CORP (JP) 2008-09-17 EP disclosed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP disclosed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-17 US disclosed
US-7271190-B2 Indazole compounds as β3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-18 US disclosed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 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 (3 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-20050020602-A1 Bicyclic compound GOT1, H1-0, HSD11B1 PDE5A 4221/4885CYP1A2 85/4885CYP3A4 226/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R PDE5A 2245/4885CYP1A2 498/4885CYP3A4 392/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 PDE5A 1242/4885CYP1A2 726/4885CYP3A4 918/4885

“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.