SCHEMBL4115236

SCHEMBL4115236

Cc1cc2c(cc1C)C(CCN1CCN(C)CC1)N(c1ccc(F)cc1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.45
DRD2 P14416 8/20 0.38
DRD3 P35462 5/20 0.38
DRD1 P21728 2/20 0.38
HTR7 P34969 2/20 0.36
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL4124065 0.84 HTT (0.46) DRD4DRD2ALDH1A1HPGD
SCHEMBL4109152 0.82 SMN1; SMN2 (0.42) TSHRALDH1A1
SCHEMBL4117439 0.81 RXFP1 (0.38) DRD1ALDH1A1HPGDADRA1A
SCHEMBL4124067 0.79 NPC1 (0.34) DRD4ALDH1A1HPGD
SCHEMBL4117131 0.78 RXFP1 (0.38) HTR7ALDH1A1HPGD
SCHEMBL4117331 0.78 KDM4E (0.36) HTR7TSHRALDH1A1HPGD
SCHEMBL4117850 0.76 MCHR1 (0.32) ALDH1A1HPGD
SCHEMBL4115233 0.76 NPC1 (0.34) HTR1ASLC6A4ALDH1A1HPGD
SCHEMBL4116895 0.75 RXFP1 (0.39) HTR7ALDH1A1HPGD
SCHEMBL4124062 0.72 NPC1 (0.39) SIGMAR1TSHR

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 DRD4 327/4885DRD2 54/4885DRD3 183/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 DRD4 181/4885DRD2 27/4885DRD3 154/4885

“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.