SCHEMBL4115233

SCHEMBL4115233

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MC4R P32245 5/20 0.34
MC1R Q01726 1/20 0.34
MAPK1 P28482 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
CREBBP Q92793 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR1A P08908 1/20 0.31
HTT P42858 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 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
SCHEMBL4124062 0.83 NPC1 (0.39) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL4124067 0.77 NPC1 (0.34) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL4126882 0.77 RXFP1 (0.36) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL4117329 0.77 KDM4E (0.37) NPC1RAB9ALMNAMAPK1BRD4
SCHEMBL4115236 0.76 DRD4 (0.45) HPGDALDH1A1HTR1ASLC6A4
SCHEMBL4128095 0.75 HSD11B1 (0.33) HPGDCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4123135 0.74 NPC1 (0.32) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL4117847 0.74 NPC1 (0.32) NPC1RAB9ALMNASMN1; SMN2BRD4
SCHEMBL4122815 0.73 MC4R (0.30) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL4109152 0.73 SMN1; SMN2 (0.42) NPC1RAB9ALMNATP53SMN1; SMN2

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 3516/4885LMNA 3570/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 NPC1 2942/4885RAB9A 3221/4885LMNA 3803/4885

“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.