SCHEMBL4124067

SCHEMBL4124067

Cc1cc2c(cc1C)C(CC(C=O)N1CCN(C)CC1)N(c1ccc(F)cc1)C2=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
DRD4 P21917 1/20 0.33
MC4R P32245 5/20 0.33
MC1R Q01726 1/20 0.33
HPGD P15428 3/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
CREBBP Q92793 1/20 0.32
ACHE P22303 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4115236 0.79 DRD4 (0.45) DRD4HPGDALDH1A1
SCHEMBL4109152 0.79 SMN1; SMN2 (0.42) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL4115233 0.77 NPC1 (0.34) NPC1RAB9AMC4RMC1RHPGD
SCHEMBL4124065 0.75 HTT (0.46) DRD4HPGDKMT2AALDH1A1MEN1
SCHEMBL4116895 0.73 RXFP1 (0.39) NPC1RAB9AHPGDKMT2AALDH1A1
SCHEMBL4128095 0.72 HSD11B1 (0.33) HPGDKMT2ACYP2C9CYP2C19ACHE
SCHEMBL4123135 0.72 NPC1 (0.32) NPC1RAB9AMC4RMC1RLMNA
SCHEMBL4117439 0.72 RXFP1 (0.38) NPC1RAB9AHPGDKMT2AALDH1A1
SCHEMBL4128092 0.71 ADAMTS5 (0.39) KMT2AALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4124062 0.70 NPC1 (0.39) NPC1RAB9AKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566378-B1 ISOINDOLINE DERIVATIVE MARUISHI PHARMA (JP) 2012-08-15 EP disclosed
US-20090170835-A1 ISOINDOLINE DERIVATIVES MARUISHI PHARMACEUTICAL CO., LTD. 2009-07-02 US disclosed
US-7521451-B2 Isoindoline derivative MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2009-04-21 US disclosed
US-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction MARUISHI PHARMACEUTICAL CO., LTD 2006-03-09 US disclosed
EP-1566378-A1 ISOINDOLINE DERIVATIVE Maruishi Pharmaceutical Co., Ltd. (JP) 2005-08-24 EP 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-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction CYP3A5, OPRD1, CYP3A7 NPC1 3638/4885RAB9A 3516/4885DRD4 327/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 NPC1 2942/4885RAB9A 3221/4885DRD4 181/4885

“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.