SCHEMBL6084492

SCHEMBL6084492

NC[C@@H]1CCc2ccccc2O1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.59
HTR1A P08908 12/20 0.52
SIGMAR1 Q99720 2/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
HTR1D P28221 10/20 0.49

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
SCHEMBL430983 1.00 CA2 (0.59) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL1383106 1.00 CA2 (0.59) CA2HTR1ASIGMAR1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL3487482 0.98 CA2 (0.57) CA2HTR1ASIGMAR1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL6085529 0.98 CA2 (0.57) CA2HTR1ASIGMAR1ADRA2AADRA2B
Bicarbonate SCHEMBL6086499 0.92 CA2 (0.56) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL7393368 0.89 CA2 (0.49) CA2HTR1ASIGMAR1ADRA2AADRA2B
Maleic Acid SCHEMBL6086191 0.87 CA2 (0.51) CA2HTR1ASIGMAR1ADRA2AADRA2B
Fumaric Acid SCHEMBL6086194 0.87 CA2 (0.51) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL407503 0.86 CA2 (0.56) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4936349 0.83 CA2 (0.56) CA2HTR1ASIGMAR1ADRA2AADRA2B

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138266-A1 Method for producing-2[-5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]-chromane MERCK PATENT GMBH (DE) 2004-07-15 US claimed
EP-1123933-A1 2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chromane as CNS active agent MERCK PATENT GmbH (DE) 2001-08-16 EP claimed
US-7045629-B2 Method for producing-2[-5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]-chromane MERCK PATENT GMBH (DE) 2006-05-16 US disclosed
EP-1383763-B1 METHOD FOR PRODUCING 2-(-5-(4-FLUOROPHENYL)-3-PYRIDYLMETHYLAMINOMETHYL)-CHROMANE MERCK PATENT GMBH (DE) 2005-10-12 EP disclosed
US-20040138266-A1 Method for producing-2[-5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]-chromane MERCK PATENT GMBH (DE) 2004-07-15 US disclosed
EP-1383763-A2 METHOD FOR PRODUCING 2- -5-(4-FLUOROPHENYL)-3-PYRIDYLMETHYLAMINOMETHYL]-CHROMANE MERCK PATENT GmbH (DE) 2004-01-28 EP disclosed
WO-2002088117-A2 METHOD FOR PRODUCING 2-[-5-(4-FLUOROPHENYL)-3-PYRIDYLMETHYLAMINOMETHYL]-CHROMANE MERCK PATENT GMBH (DE) 2002-11-07 WO disclosed
EP-1123933-A1 2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chromane as CNS active agent MERCK PATENT GmbH (DE) 2001-08-16 EP disclosed
US-5767132-A CENTRAL NERVOUS SYSTEM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-06-16 US disclosed
US-5703115-A VASOCONSTRICTORS JANSSEN PHARMACEUTICA, N.V. (BE) 1997-12-30 US disclosed
US-5688952-A VASOCONSTRICTOR INTERMEDIATES JANSSEN PHARMACEUTICA, N.V. (BE) 1997-11-18 US disclosed
US-5624952-A VASOCONSTRICTORS JANSSEN PHARMACEUTICA N.V. (BE) 1997-04-29 US disclosed
US-5607949-A VASOCONTRICTORS, TREATING MIGRAIN JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-04 US disclosed
US-5541180-A HEADACHE THERAPY JANSSEN PHARMACEUTICA N.V. (BE) 1996-07-30 US disclosed
EP-0639192-B1 (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS JANSSEN PHARMACEUTICA NV (BE) 1996-05-15 EP disclosed
EP-0707007-A1 Amino(thio)ether derivatives as CNS active agents MERCK PATENT GmbH (DE) 1996-04-17 EP disclosed
EP-0639192-A1 (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS. JANSSEN PHARMACEUTICA NV (BE) 1995-02-22 EP disclosed
WO-1993017017-A1 [(BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-02 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 (1 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-20040138266-A1 Method for producing-2[-5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]-chromane PAH, HPD, CYP3A43 CA2 28/4885HTR1A 227/4885SIGMAR1 4105/4885

“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.