SCHEMBL4472661

SCHEMBL4472661

CCOc1ccc(C(=O)N(CC)CC)cc1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.82
RAB9A P51151 4/20 0.82
ALDH1A1 P00352 4/20 0.82
LMNA P02545 3/20 0.82
MAPT P10636 2/20 0.82
SMN1; SMN2 Q16637 1/20 0.64
PARP10 Q53GL7 1/20 0.59
HPGD P15428 2/20 0.56
PLK1 P53350 1/20 0.56
HRH3 Q9Y5N1 2/20 0.56
MLYCD O95822 1/20 0.54
SCN1A P35498 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
PLA2G4B P0C869 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NQO1 P15559 1/20 0.52

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
SCHEMBL10143992 0.91 NPC1 (1.00) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL7166974 0.86 MAPT (0.63) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL5703500 0.84 HPGD (0.73) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL94674 0.83 ALDH1A1 (0.68) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL1844719 0.83 OPRM1 (0.67) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL9388919 0.83 ALDH1A1 (0.66) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL27276866 0.83 ALDH1A1 (0.60) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL13958531 0.82 ALDH1A1 (0.59) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL31517003 0.82 MAPT (0.63) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL8464986 0.81 PARP10 (0.59) NPC1RAB9AALDH1A1LMNAMAPT

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 10 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
CN-100345843-C 4- (thioxanthene-9-subunit) -piperidine or acridine derivative and application thereof in preparation of medicines BIOFRONTERA PHARMACEUTICALS GM (DE) 2007-10-31 CN 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
CN-1575291-A 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) 2005-02-02 CN 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-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

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-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 NPC1 2335/4885RAB9A 1375/4885ALDH1A1 547/4885
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 NPC1 2335/4885RAB9A 1375/4885ALDH1A1 547/4885

“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.