SCHEMBL1089933

SCHEMBL1089933

FC(F)(F)c1ccc2c(c1)[N]CCC2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
PNMT P11086 4/20 0.38
TDP2 O95551 1/20 0.38
CTSD P07339 3/20 0.36
KIF11 P52732 1/20 0.36
POLB P06746 1/20 0.35
SORT1 Q99523 1/20 0.35
PTPN5 P54829 1/20 0.35

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
SCHEMBL208243 0.76 KDM1A (0.38) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL2387705 0.72 PNMT (0.44) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL31757570 0.72 KCNH2 (0.46) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL16867892 0.72 KCNH2 (0.46) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL5540760 0.72 ADRA2A (0.36) PNMTTDP2
SCHEMBL208850 0.72 ACHE (0.41) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL208137 0.72 PNMT (0.36) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL22620332 0.71 PARP1 (0.41) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL9730373 0.71 KCNH2 (0.44) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL28666175 0.70 CTSD (0.41) PARP1PARP10CTSDKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039474-B2 2,3,4,9-tetrahydro-1H-carbazole derivatives as CRTH2 receptor antagonists ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-18 US claimed
EP-1833791-B1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-03 EP claimed
US-20090270414-A1 2,3,4,9- TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-29 US claimed
EP-1833791-A2 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-09-19 EP claimed
WO-2006070325-A2 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-07-06 WO claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8039474-B2 2,3,4,9-tetrahydro-1H-carbazole derivatives as CRTH2 receptor antagonists ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-18 US disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
EP-1833791-A2 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-09-19 EP disclosed
WO-2006070325-A2 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-07-06 WO disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO disclosed
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US 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 (7 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 PARP1 4177/4885PARP10 2506/4885HTR2A 1568/4885
US-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 PARP1 690/4885PARP10 537/4885HTR2A 1652/4885
US-20090270414-A1 2,3,4,9- TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS HRH2, CRHR2, GRK2 PARP1 2479/4885PARP10 2374/4885HTR2A 153/4885
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 PARP1 4177/4885PARP10 2506/4885HTR2A 1568/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 PARP1 3600/4885PARP10 2810/4885HTR2A 2383/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 PARP1 4177/4885PARP10 2506/4885HTR2A 1568/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 PARP1 4177/4885PARP10 2506/4885HTR2A 1568/4885

“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.