SCHEMBL22766459

SCHEMBL22766459

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4c5ccccc5c(-c5ccccc5-c5ccc(-c6ccccc6)cc5)c5ccccc45)n3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 1/20 0.43
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ ATM Q13315 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ TSHR P16473 3/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL22766809 1.00 GPR55 (0.43) GPR55MEN1KMT2AATML3MBTL1
SCHEMBL22766704 1.00 GPR55 (0.43) GPR55MEN1KMT2AATML3MBTL1
SCHEMBL22766665 1.00 GPR55 (0.43) GPR55MEN1KMT2AATML3MBTL1
SCHEMBL22766641 1.00 GPR55 (0.43) GPR55MEN1KMT2AATML3MBTL1
SCHEMBL22766664 0.96 GPR55 (0.46) GPR55MEN1KMT2AATML3MBTL1
SCHEMBL12600796 0.94 GPR55 (0.47) GPR55MEN1KMT2AATML3MBTL1
SCHEMBL22766544 0.93 GPR55 (0.43) GPR55MEN1KMT2AATML3MBTL1
SCHEMBL21476586 0.91 GPR55 (0.44) GPR55MEN1KMT2AATML3MBTL1
SCHEMBL22766462 0.86 MAPT (0.51) MEN1KMT2AATML3MBTL1MAPT
SCHEMBL10301146 0.86 MEN1 (0.42) GPR55MEN1KMT2AATML3MBTL1

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
US-20200388767-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2020-12-10 — — US disclosed
US-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2016-11-03 — — 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-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 GPR55 411/4885MEN1 757/4885KMT2A 4413/4885

“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.

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