SCHEMBL4486207

SCHEMBL4486207

CCOc1ccc2c(=O)c3ccccc3[nH]c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.70
CTSL P07711 3/20 0.70
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ABCG2 Q9UNQ0 2/20 0.57
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 3/20 0.54
MAPT P10636 1/20 0.54
ESR2 Q92731 1/20 0.54
KIF11 P52732 3/20 0.51
TSHR P16473 1/20 0.51
NPC1 O15118 2/20 0.50

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
SCHEMBL6009648 0.91 KIF11 (0.61) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL28104195 0.83 ABCG2 (0.82) CTSVCTSLMEN1KMT2AABCG2
SCHEMBL3621488 0.83 CTSV (0.60) CTSVCTSLKMT2AABCG2MAPT
SCHEMBL6009601 0.82 HSD17B10 (0.59) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL3615103 0.82 XDH (0.64) CTSVCTSLABCG2KDM4ETSHR
SCHEMBL15466453 0.81 ALDH1A1 (0.67) MEN1KMT2AABCG2KDM4EALDH1A1
SCHEMBL23640678 0.79 CTSV (0.62) CTSVCTSLMEN1KMT2AABCG2
SCHEMBL27436266 0.79 KIF11 (0.55) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL12722429 0.78 GABRP (0.58) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL16790723 0.78 GABRP (0.61) CTSVCTSLMEN1KMT2AKDM4E

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 8 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-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 CTSV 4212/4885CTSL 3298/4885MEN1 3713/4885
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 CTSV 4212/4885CTSL 3298/4885MEN1 3713/4885

“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.