SCHEMBL4137042

SCHEMBL4137042

CCC(C(=O)O)c1coc2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
PTPN1 P18031 1/20 0.40
AKR1C3 P42330 7/20 0.36
AKR1C2 P52895 7/20 0.36
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.34
NQO1 P15559 1/20 0.34
PDE10A Q9Y233 2/20 0.34
AKR1C1 Q04828 1/20 0.33
PTGS1 P23219 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
F9 P00740 1/20 0.33
F10 P00742 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MTNR1A P48039 1/20 0.33

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
SCHEMBL4148176 0.83 MCL1 (0.40) KDM4EHTTPTPN1KMT2AMEN1
SCHEMBL7539654 0.81 KDM4E (0.47) KDM4EHTTPTPN1AKR1C3AKR1C2
SCHEMBL4143131 0.81 ALDH1A1 (0.53) KDM4EHTTAKR1C3AKR1C2KMT2A
SCHEMBL4139411 0.81 MAOB (0.45) KDM4EKMT2AMAOB
SCHEMBL4143169 0.78 MCL1 (0.40) KDM4EHTTPTPN1
SCHEMBL23116705 0.76 KDM4E (0.37) KDM4EHTTPTPN1KMT2ANQO1
SCHEMBL4143937 0.76 AKR1C3 (0.52) KDM4EHTTAKR1C3AKR1C2KMT2A
SCHEMBL16963923 0.74 CES2 (0.46) AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL30193006 0.73 AKR1C3 (0.45) AKR1C3AKR1C2KMT2AAKR1C1PTGS1
SCHEMBL7828711 0.71 KDM4E (0.51) KDM4EKMT2AMEN1MTNR1A

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-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 US disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US disclosed
US-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-09-27 US disclosed
US-7235569-B2 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH (US) 2007-06-26 US disclosed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 EP disclosed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US disclosed
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH 2005-01-06 US disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 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 (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-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE TPH1, TPH2, HTR3A KDM4E 2096/4885HTT 199/4885PTPN1 2981/4885
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C KDM4E 2515/4885HTT 273/4885PTPN1 4607/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C KDM4E 2515/4885HTT 273/4885PTPN1 4607/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 KDM4E 2124/4885HTT 236/4885PTPN1 2579/4885

“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.