SCHEMBL1990846

SCHEMBL1990846

c1ccc(COc2cccc3c4c([nH]c23)C2CCN(CC2)C4)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.46
ADORA3 P0DMS8 1/20 0.43
HTR1A P08908 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
LTA4H P09960 1/20 0.40
PLA2G2A P14555 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
MCHR1 Q99705 3/20 0.39
HTR6 P50406 1/20 0.38
CRBN Q96SW2 1/20 0.38
IKZF3 Q9UKT9 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MGLL Q99685 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
SCHEMBL25634132 0.73 ADORA3 (0.48) PIK3CGADORA3LTA4HPLA2G2ATRPM8
SCHEMBL31153240 0.73 ADORA3 (0.48) PIK3CGADORA3LTA4HPLA2G2ATRPM8
SCHEMBL1994667 0.71 CHRNB2 (0.42) MAPT
SCHEMBL25634131 0.71 HTR2C (0.51) PIK3CGADORA3HTR1ASLC6A2SLC6A4
SCHEMBL31153238 0.71 HTR2C (0.51) PIK3CGADORA3HTR1ASLC6A2SLC6A4
SCHEMBL8110408 0.70 TAAR1 (0.53) PIK3CGADORA3HTR1ASLC6A2SLC6A4
SCHEMBL11347383 0.70 CHRM2 (0.43) PIK3CGADORA3HTR1ASLC6A2SLC6A4
SCHEMBL6240539 0.70 MAPKAPK2 (0.63) PIK3CGADORA3SRD5A2
SCHEMBL2814972 0.70 ACKR3 (0.58)
SCHEMBL4163960 0.69 CTSK (0.53) PIK3CGMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516440-B1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS ABBVIE INC (US) 2014-07-23 EP claimed
US-8524703-B2 Bridgehead amine ring-fused indoles and indolines ABBVIE INC. (US) 2013-09-03 US claimed
US-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES ABBOTT LABORATORIES (US) 2011-06-23 US claimed
EP-2516440-B1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS ABBVIE INC (US) 2014-07-23 EP disclosed
US-8524703-B2 Bridgehead amine ring-fused indoles and indolines ABBVIE INC. (US) 2013-09-03 US disclosed
US-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES ABBOTT LABORATORIES (US) 2011-06-23 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-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES IDO2, IDO1, TPH2 PIK3CG 3257/4885ADORA3 802/4885HTR1A 22/4885

“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.