SCHEMBL4815784

SCHEMBL4815784

Clc1ccccc1C(Br)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
LMNA P02545 2/20 0.47
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 2/20 0.46
HIF1A Q16665 3/20 0.43
IDO1 P14902 2/20 0.43
TDO2 P48775 2/20 0.43
IDO2 Q6ZQW0 2/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAPT P10636 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL29975957 0.85 IDO1 (0.52) TSHRLMNACYP2C19ALDH1A1CYP2C9
SCHEMBL7520144 0.85 IDO1 (0.52) TSHRLMNACYP2C19ALDH1A1CYP2C9
SCHEMBL9677445 0.83 TSHR (0.47) TSHRLMNACYP2C19ALDH1A1CYP2C9
SCHEMBL11488224 0.82 TSHR (0.58) TSHRLMNACYP2C19ALDH1A1CYP2C9
SCHEMBL4167758 0.81 TSHR (0.47) TSHRLMNACYP2C19ALDH1A1CYP2C9
SCHEMBL13145151 0.79 P2RX7 (0.47) TSHRLMNACYP2C19ALDH1A1CYP2C9
SCHEMBL5627145 0.79 TSHR (0.43) TSHRLMNACYP2C19ALDH1A1CYP2C9
SCHEMBL320794 0.79 P2RX7 (0.47) TSHRLMNACYP2C19ALDH1A1CYP2C9
SCHEMBL9503376 0.79 ADRB2 (0.46) TSHRLMNACYP2C19ALDH1A1CYP2C9
SCHEMBL11640013 0.79 TSHR (0.42) TSHRLMNACYP2C19ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910603-B2 3-monosubstituted tropane derivatives as nociceptin receptor ligands SCHERING CORPORATION (US) 2011-03-22 US disclosed
US-7910603-B2 3-monosubstituted tropane derivatives as nociceptin receptor ligands SCHERING CORPORATION (US) 2011-03-22 US disclosed
US-20090105248-A1 3-MONOSUBSTITUTED TROPANE DERIVATIVES AS NOCICEPTIN RECEPTOR LIGANDS SCHERING CORPORATION 2009-04-23 US disclosed
US-20090105248-A1 3-MONOSUBSTITUTED TROPANE DERIVATIVES AS NOCICEPTIN RECEPTOR LIGANDS SCHERING CORPORATION 2009-04-23 US disclosed
US-7485650-B2 High affinity ligands for nociceptin receptor ORL-1 SCHERING CORPORATION (US) 2009-02-03 US disclosed
US-7485650-B2 High affinity ligands for nociceptin receptor ORL-1 SCHERING CORPORATION (US) 2009-02-03 US disclosed
US-7479494-B2 3-monosubstituted tropane derivatives as nociceptin receptor ligands SCHERING CORPORATION (US) 2009-01-20 US disclosed
US-7479494-B2 3-monosubstituted tropane derivatives as nociceptin receptor ligands SCHERING CORPORATION (US) 2009-01-20 US disclosed
US-7459556-B2 Process for preparing substituted 8-azabicyclo[3.2.1]octan-3-ols SCHERING-PLOUGH LTD. (CH) 2008-12-02 US disclosed
US-20070249604-A1 3-Monosubstituted tropane derivatives as nociceptin receptor ligands SCHERING CORPORATION 2007-10-25 US disclosed
US-20030119847-A1 Heteroaryl derivatives as superior ligands for nociceptin receptor ORL-1 SCHERING CORPORATION 2003-06-26 US disclosed
WO-2003039469-A2 HETEROARYL DERIVATIVES AS SUPERIOR LIGANDS FOR NOCICEPTIN RECEPTOR ORL-1 SCHERING CORPORATION (US) 2003-05-15 WO disclosed
EP-0912176-B1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-25 EP disclosed
US-6451816-B1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression KLINGE PHARMA GMBH (DE) 2002-09-17 US disclosed
EP-0934309-B1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-11 EP disclosed
US-6444823-B1 ANTITUMOR AGENTS; IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION KLINGE PHARMA GMBH (DE) 2002-09-03 US disclosed
EP-0934309-A1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES Klinge Pharma GmbH (DE) 1999-08-11 EP disclosed
EP-0912176-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION Klinge Pharma GmbH (DE) 1999-05-06 EP disclosed
WO-1997048397-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION KLINGE PHARMA GMBH (DE) 1997-12-24 WO disclosed
WO-1997048695-A1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES KLINGE PHARMA GMBH (DE) 1997-12-24 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 (3 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-20090105248-A1 3-MONOSUBSTITUTED TROPANE DERIVATIVES AS NOCICEPTIN RECEPTOR LIGANDS OPRL1, OPRM1, OPRD1 TSHR 230/4885LMNA 1291/4885CYP2C19 1783/4885
US-20070249604-A1 3-Monosubstituted tropane derivatives as nociceptin receptor ligands OPRL1, OPRM1, OPRD1 TSHR 235/4885LMNA 1382/4885CYP2C19 1767/4885
US-20030119847-A1 Heteroaryl derivatives as superior ligands for nociceptin receptor ORL-1 OPRL1, OPRD1, OPRK1 TSHR 711/4885LMNA 2771/4885CYP2C19 2884/4885

“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.