SCHEMBL4487693

SCHEMBL4487693

Oc1ccc2c(c1)Sc1ccccc1C2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.61
DRD1 P21728 12/20 0.46
DRD2 P14416 11/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
DRD5 P21918 10/20 0.45
DRD3 P35462 9/20 0.45
DRD4 P21917 7/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.41
HTR2A P28223 1/20 0.39

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
SCHEMBL30489960 0.89 ALDH1A1 (0.66) ALDH1A1LMNADRD1DRD2HPGD
SCHEMBL27501961 0.86 ALDH1A1 (0.50) ALDH1A1LMNADRD1DRD2HPGD
SCHEMBL3850258 0.81 ALDH1A1 (0.53) ALDH1A1LMNADRD2HPGDKDM4E
Thioxanthene SCHEMBL29398766 0.81 ALDH1A1 (0.61) ALDH1A1LMNADRD1DRD2HPGD
Thioxanthene SCHEMBL8717 0.81 ALDH1A1 (0.61) ALDH1A1LMNADRD1DRD2HPGD
Thioxanthene SCHEMBL27969071 0.80 ALDH1A1 (0.51) ALDH1A1LMNADRD1DRD2HPGD
Thioxanthene SCHEMBL28751085 0.79 ALDH1A1 (0.59) ALDH1A1LMNADRD1DRD2HPGD
SCHEMBL18311802 0.79 ALDH1A1 (0.59) ALDH1A1LMNADRD1DRD2HPGD
Thioxanthene SCHEMBL28542371 0.79 ALDH1A1 (0.59) ALDH1A1LMNADRD1DRD2HPGD
Thioxanthene SCHEMBL31106427 0.79 ALDH1A1 (0.59) ALDH1A1LMNADRD1DRD2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511064-B2 Derivatives of 4-(thio- or selenoxanthene-9-ylidene)-piperidine or acridine and its use as a selective 5-HT2B receptor antagonist BIOFRONTERA BIOSCIENCE GMBH (DE) 2009-03-31 US disclosed
US-20060183905-A1 DERIVATIVES OF 4-(THIO-OR SELENOXANTHENE-9-YLIDENE)-PIPERIDINE OR ACRIDINE AND ITS USE AS A SELECTIVE 5-HT2B RECEPTOR ANTAGONIST BIOFRONTERA BIOSCIENCE GMBH (DE) 2006-08-17 US disclosed
US-7060711-B2 Derivatives of 4-(thio- or selenoxanthene-9-ylidene)-piperidine or acridine and its use as a selective 5-HT2B receptor antagonist BIOFRONTERA BIOSCIENCE GMBH (DE) 2006-06-13 US disclosed
EP-1438307-B1 DERIVATIVES OF 4-(THIO- OR SELENOXANTHENE-9-YLIDENE)-PIPERIDINE OR ACRIDINE AND ITS USE AS A SELECTIVE 5-HT2B RECEPTOR ANTAGONIST BIOFRONTERA PHARMACEUTICALS GM (DE) 2005-08-03 EP disclosed
EP-1438307-A2 DERIVATIVES OF 4-(THIO- OR SELENOXANTHENE-9-YLIDENE)-PIPERIDINE OR ACRIDINE AND ITS USE AS A SELECTIVE 5-HT2B RECEPTOR ANTAGONIST Biofrontera Pharmaceuticals GmbH (DE) 2004-07-21 EP disclosed
US-20030166672-A1 Derivatives of 4-(Thio- or Selenoxanthene-9-ylidene)-piperidine or acridine and its use as a selective 5-HT2B receptor antagonist BIOFRONTERA BIOSCIENCE GMBH (DE) 2003-09-04 US disclosed
EP-1321169-A1 Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament Biofrontera Pharmaceuticals AG (DE) 2003-06-25 EP disclosed
EP-1306376-A1 Derivatives of 4-(thio- or selenoxanthene-9-ylidene)-piperidine or acridine and its use as a selective 5-HT2B receptor antagonist Biofrontera Pharmaceuticals AG (DE) 2003-05-02 EP disclosed
WO-2003035646-A2 DERIVATIVES OF 4-(THIO- OR SELENOXANTHENE-9-YLIDENE)-PIPERIDINE OR ACRIDINE AND ITS USE AS A SELECTIVE 5-HT2B RECEPTOR ANTAGONIST BIOFRONTERA PHARMACEUTICALS GMBH (DE) 2003-05-01 WO disclosed
US-20030022920-A1 1-Methyl-4- (3-ethoxy-9H-thioxanthene-9-ylidene) -piperidine and its use as 5-HT2B/H1 receptor antagonist BIOFRONTERA PHARMACEUTICALS AG (DE) 2003-01-30 US disclosed
EP-1270568-A1 1-methyl-4-(3-ethoxy-9h-thioxanthene-ylidene)-piperidine and its use as 5-HT2B and/or H1 antagonist Biofrontera Pharmaceuticals AG (DE) 2003-01-02 EP disclosed
WO-2002102797-A1 1-METHYL-4-(3-ETHOXY-9H-THIOXANTHENE-9-YLIDENE)-PIPERIDINE AND ITS USE AS 5-HT2B AND/OR H1 ANTAGONIST BIOFRONTERA AG (DE) 2002-12-27 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 (3 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-20030166672-A1 Derivatives of 4-(Thio- or Selenoxanthene-9-ylidene)-piperidine or acridine and its use as a selective 5-HT2B receptor antagonist HTR2B, HTR1B, HTR3B ALDH1A1 547/4885LMNA 4509/4885DRD1 95/4885
US-20060183905-A1 DERIVATIVES OF 4-(THIO-OR SELENOXANTHENE-9-YLIDENE)-PIPERIDINE OR ACRIDINE AND ITS USE AS A SELECTIVE 5-HT2B RECEPTOR ANTAGONIST HTR2B, HTR1B, HTR3B ALDH1A1 547/4885LMNA 4509/4885DRD1 95/4885
US-20030022920-A1 1-Methyl-4- (3-ethoxy-9H-thioxanthene-9-ylidene) -piperidine and its use as 5-HT2B/H1 receptor antagonist HTR2B, HTR1B, HTR1A ALDH1A1 518/4885LMNA 4239/4885DRD1 93/4885

“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.