SCHEMBL510609

SCHEMBL510609

CCC(C)CCOC(=O)c1cc[c]cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.44
PKM P14618 2/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 4/20 0.42
TSHR P16473 4/20 0.42
ESR1 P03372 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
KDR P35968 1/20 0.42
CYP1A2 P05177 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 2/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL23855447 0.89 MAPT (0.60) MAPTMAPK1PKMHSD17B10LMNA
SCHEMBL9787311 0.85 MAPK1 (0.59) MAPTMAPK1PKMHSD17B10LMNA
SCHEMBL9724765 0.84 MAPT (0.69) MAPTHSD17B10LMNAALDH1A1TSHR
SCHEMBL25891800 0.84 LMNA (0.64) MAPTMAPK1PKMHSD17B10LMNA
SCHEMBL9627498 0.84 LMNA (0.64) MAPTMAPK1PKMHSD17B10LMNA
SCHEMBL9724768 0.84 MAPT (0.69) MAPTHSD17B10LMNAALDH1A1TSHR
SCHEMBL3229928 0.84 PKM (0.48) MAPTMAPK1PKMHSD17B10LMNA
SCHEMBL9345538 0.83 ESR1 (0.65) MAPTMAPK1PKMHSD17B10LMNA
SCHEMBL9345519 0.83 ESR1 (0.65) MAPTMAPK1PKMHSD17B10LMNA
SCHEMBL12756251 0.81 CA12 (0.53) MAPTMAPK1PKMHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-8598162-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
CN-102850336-A DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMA CO LTD 2013-01-02 CN disclosed
CN-102702182-A Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-10-03 CN disclosed
CN-102558140-A Derivatives of 4-piperazin-1-1-yl-4-benzo [b] thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-07-11 CN disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
CN-101258147-A 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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 (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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 MAPT 223/4885MAPK1 366/4885PKM 1050/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 MAPT 223/4885MAPK1 366/4885PKM 1050/4885

“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.