SCHEMBL8569413

SCHEMBL8569413

CCN(C)C(=O)Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LTB4R Q15722 3/20 0.51
LTB4R2 Q9NPC1 3/20 0.51
ALOX5 P09917 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
AKR1B1 P15121 1/20 0.50
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
LMNA P02545 1/20 0.47
CNR2 P34972 1/20 0.47
RIPK1 Q13546 1/20 0.46

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
SCHEMBL14415480 0.85 LTB4R (0.56) NPC1RAB9ALTB4RLTB4R2ALOX5
SCHEMBL1516137 0.84 NPC1 (0.75) NPC1RAB9AKMT2ACA12CA9
SCHEMBL24835272 0.83 ALDH1A1 (0.55) KMT2A
SCHEMBL5294174 0.82 AKR1B1 (0.54) NPC1RAB9ALTB4RLTB4R2ALOX5
SCHEMBL24835513 0.82 LTB4R (0.49) NPC1RAB9ALTB4RLTB4R2KMT2A
SCHEMBL195224 0.82 LMNA (0.58) NPC1RAB9ACES2CES1AKR1B1
SCHEMBL339507 0.81 CES2 (0.56) NPC1RAB9ALTB4RLTB4R2ALOX5
SCHEMBL14415483 0.81 TDP1 (0.62) RAB9AKMT2ALMNARIPK1
SCHEMBL9122526 0.81 LTB4R (0.56) NPC1RAB9ALTB4RLTB4R2ALOX5
SCHEMBL5144362 0.79 LTB4R (0.55) NPC1RAB9ALTB4RLTB4R2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11050026-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-06-29 US disclosed
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-06-21 US disclosed
EP-2141154-A1 OXAZOLIDINONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11 -HYDROXYSTEROID DEHYDROGENASE TYPE I Institute Of Medicinal Molecular Design, Inc. (JP) 2010-01-06 EP disclosed
US-7589204-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-5750531-A ANTISECRETORY AGENTS FOR THE TREATMENT OF PEPTIC ULCER YUHAN CORPORATION (KR) 1998-05-12 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 (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-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG NPC1 2121/4885RAB9A 2464/4885LTB4R 2541/4885
US-11050026-B2 Spiro compound and organic light-emitting element comprising same NR2E3, CRY1, ERG NPC1 2121/4885RAB9A 2464/4885LTB4R 2541/4885
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CCL5, IDO1 NPC1 203/4885RAB9A 2604/4885LTB4R 152/4885

“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.