SCHEMBL3007616

SCHEMBL3007616

COCCN1CCc2c(Br)cccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
HTT P42858 3/20 0.43
DRD3 P35462 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
ABCB1 P08183 1/20 0.41
AOC3 Q16853 2/20 0.40
GRM5 P41594 3/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
IDH1 O75874 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PARP1 P09874 1/20 0.38
GRM1 Q13255 1/20 0.38

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
SCHEMBL3002188 0.87 HTT (0.44) DRD2DRD4HTTDRD3MEN1
SCHEMBL5811844 0.85 HTT (0.45) DRD2DRD4HTTDRD3MEN1
SCHEMBL5839984 0.82 ALDH1A1 (0.51) DRD2DRD4HTTDRD3MEN1
SCHEMBL3003289 0.82 PARP10 (0.42) DRD2DRD4HTTDRD3MEN1
SCHEMBL5810628 0.82 DRD2 (0.43) DRD2DRD4HTTDRD3MEN1
SCHEMBL2998675 0.82 HTT (0.49) DRD2DRD4HTTDRD3AOC3
SCHEMBL5840128 0.81 HTT (0.56) DRD2DRD4HTTMEN1KMT2A
SCHEMBL2995748 0.81 ALDH1A1 (0.47) DRD2DRD4HTTDRD3MEN1
SCHEMBL27883867 0.81 PARP1 (0.58) DRD2DRD4HTTDRD3MAPT
Hydrochloric Acid SCHEMBL27901028 0.80 PARP1 (0.57) DRD2DRD4HTTDRD3MAPT

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
US-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 US disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
EP-2185511-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2009044019-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 WO disclosed
US-7144894-B2 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
US-20060063799-A1 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 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 (2 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-20060063799-A1 Sulfonamide bicyclic compounds APP, BACE1, IAPP DRD2 4467/4885DRD4 4270/4885HTT 242/4885
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 DRD2 670/4885DRD4 707/4885HTT 1491/4885

“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.