SCHEMBL1840667

SCHEMBL1840667

Cc1ccc(Br)c(OC(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCR1 P32246 2/20 0.33
LRRK2 Q5S007 1/20 0.33
RAB9A P51151 1/20 0.33
CCR5 P51681 1/20 0.33
GRM5 P41594 1/20 0.33
CCR8 P51685 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 3/20 0.31
MBOAT4 Q96T53 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
BTK Q06187 1/20 0.31
ALDH1A3 P47895 1/20 0.31
ATM Q13315 2/20 0.30

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
SCHEMBL19851268 0.82 MBOAT4 (0.43) CCR1RAB9ACCR5CCR8MBOAT4
SCHEMBL30168445 0.82 MBOAT4 (0.43) CCR1RAB9ACCR5CCR8MBOAT4
SCHEMBL21585395 0.79 KMT2A (0.41) MEN1KMT2ACCR1LRRK2RAB9A
SCHEMBL1672587 0.77 RAB9A (0.41) CCR1RAB9ACCR5CCR8KDM4E
SCHEMBL23458439 0.76 CCNA2 (0.37) MEN1KMT2ACCR1LRRK2RAB9A
SCHEMBL29983687 0.76 CCNA2 (0.37) MEN1KMT2ACCR1LRRK2RAB9A
SCHEMBL29624867 0.76 APP (0.30)
SCHEMBL15918797 0.75 CCR1 (0.36) CCR1RAB9ACCR5CCR8KDM4E
SCHEMBL29505873 0.75 RAB9A (0.41) CCR1RAB9ACCR5CCR8KDM4E
SCHEMBL13739749 0.74 CCR1 (0.47) MEN1KMT2ACCR1RAB9ACCR5

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-1581221-B1 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-05-18 EP disclosed
EP-1581221-A4 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-11-26 EP disclosed
US-7109339-B2 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
EP-1581221-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
US-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
WO-2004056324-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-08 WO 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-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR5A MEN1 1780/4885KMT2A 2278/4885CCR1 508/4885

“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.