SCHEMBL2173955

SCHEMBL2173955

Fc1ccc(C2(C(F)(F)F)CO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.38
MAOB P27338 2/20 0.38
SLC6A2 P23975 2/20 0.38
MAOA P21397 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRND Q07001 1/20 0.38
NPY5R Q15761 1/20 0.32
DAO P14920 1/20 0.32
RORC P51449 3/20 0.31
NR1I2 O75469 1/20 0.31
SLC6A4 P31645 2/20 0.31
EGFR P00533 1/20 0.30
PTGS2 P35354 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
SCHEMBL9561216 0.81 MAOB (0.39) SLC6A3MAOBSLC6A2MAOACHRNA1
SCHEMBL9560864 0.81 TAAR1 (0.36)
SCHEMBL9560749 0.81 MAOA (0.39) SLC6A3MAOBSLC6A2MAOACHRNA1
SCHEMBL20087810 0.80 MAOB (0.38) SLC6A3MAOBSLC6A2MAOACHRNB2
SCHEMBL9861827 0.76 SLC6A4 (0.44) SLC6A3SLC6A2NR1I2SLC6A4
SCHEMBL7886374 0.75 CHRNA1 (0.34) SLC6A3MAOBSLC6A2MAOACHRNA1
SCHEMBL13610470 0.73 KCNH2 (0.51)
SCHEMBL9561250 0.72 NQO1 (0.47)
SCHEMBL9637914 0.72 NQO1 (0.47)
SCHEMBL7292524 0.72 MAOB (0.43) SLC6A3MAOBSLC6A2MAOACHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481676-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-01 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9409910-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-09 US disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 US disclosed
US-9034880-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-8999978-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
US-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2015-02-19 US disclosed
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 US disclosed
WO-2010051503-A1 AZEPINO [4, 5-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 WO disclosed
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP 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 (4 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-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A SLC6A3 50/4885MAOB 55/4885SLC6A2 192/4885
US-20150182509-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A SLC6A3 118/4885MAOB 193/4885SLC6A2 237/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 SLC6A3 225/4885MAOB 83/4885SLC6A2 279/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A SLC6A3 118/4885MAOB 193/4885SLC6A2 237/4885

“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.