SCHEMBL293470

SCHEMBL293470

CCCCCn1c[c]cn1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.34
KDR P35968 5/20 0.33
SMPD1 P17405 4/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
TLR8 Q9NR97 3/20 0.32
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PABPC1 P11940 1/20 0.31
APOBEC3A P31941 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
SLC9A1 P19634 1/20 0.30

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
SCHEMBL128890 0.93
SCHEMBL949579 0.75 ALDH1A1 (0.33) SMPD1ALDH1A1LMNA
SCHEMBL1712690 0.72 TBXAS1 (0.41) TBXAS1PTGS1PTGS2LMNA
SCHEMBL1712283 0.69 EGLN3 (0.39) TBXAS1PTGS1PTGS2ALDH1A1LMNA
SCHEMBL2333919 0.68 SLC9A1 (0.36) TBXAS1KDRSMPD1TLR8SLC9A1
SCHEMBL20588490 0.67 SLC9A1 (0.38) TBXAS1KDRSMPD1PTGS1PTGS2
SCHEMBL45207 0.67 TLR8 (0.44) TBXAS1TLR8NPC1ALDH1A1LMNA
SCHEMBL8661566 0.65 EGLN3 (0.47) TBXAS1TLR8ALDH1A1LMNA
SCHEMBL6114927 0.65 TBXAS1 (0.47) TBXAS1KDRTLR8NPC1LMNA
SCHEMBL6114716 0.65 TBXAS1 (0.47) TBXAS1KDRTLR8NPC1LMNA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP claimed
EP-0649410-A1 ANILIDE DERIVATIVES. GLAXO LAB SA (FR) 1995-04-26 EP claimed
WO-1994001408-A1 ANILIDE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1994-01-20 WO claimed
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
EP-2287161-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2287162-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
CN-101258147-B 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD 2012-03-21 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
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP disclosed
EP-0649410-A1 ANILIDE DERIVATIVES. GLAXO LAB SA (FR) 1995-04-26 EP disclosed
EP-0649410-A1 ANILIDE DERIVATIVES. GLAXO LAB SA (FR) 1995-04-26 EP disclosed
WO-1994001408-A1 ANILIDE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1994-01-20 WO disclosed
WO-1994001408-A1 ANILIDE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1994-01-20 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 (1 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-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 TBXAS1 2435/4885KDR 4450/4885SMPD1 2627/4885

“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.