SCHEMBL6312484

SCHEMBL6312484

CN1CCN(c2cccc3ccc(OCc4cccc(Cl)c4)cc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.69
HTR1D P28221 10/20 0.69
HTR1B P28222 10/20 0.69
SLC6A9 P48067 1/20 0.61
KCNH2 Q12809 1/20 0.61
HRH4 Q9H3N8 1/20 0.53
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
HTR6 P50406 2/20 0.47
DRD2 P14416 1/20 0.47
HTR7 P34969 1/20 0.47
SRD5A1 P18405 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL6313105 0.90 HTR1A (0.70) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL6312894 0.89 HTR1A (0.75) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL6314963 0.88 HTR1A (0.67) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7812705 0.82 HTR1A (0.62) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7812664 0.82 KCNH2 (0.64) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7813010 0.82 KCNH2 (0.64) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL27393719 0.82 HTR1A (0.65) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7803557 0.81 HTR1A (0.64) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7812400 0.81 HTR1A (0.60) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7809074 0.81 HTR1A (0.66) HTR1AHTR1DHTR1BSLC6A9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080090-A1 Naphthalene derivatives CHENARD BERTRAND L (US) 2005-04-14 US disclosed
US-20020058811-A1 Naphthalene derivatives CHENARD BERTRAND L (US) 2002-05-16 US disclosed
US-20010004669-A1 Pyrazinyl-substituted naphthalene derivatives CHENARD BERTRAND L (US) 2001-06-21 US disclosed
EP-0689536-B1 NAPHTHALENE DERIVATIVES PFIZER (US) 2001-05-23 EP disclosed
EP-0701819-B1 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER (US) 2000-08-16 EP disclosed
US-5597826-A Compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER INC. (US) 1997-01-28 US disclosed
EP-0701819-A2 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER INC. (US) 1996-03-20 EP disclosed
EP-0689536-A1 NAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-03 EP disclosed
WO-1994021619-A1 NAPHTHALENE DERIVATIVES PFIZER INC. (US) 1994-09-29 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-20010004669-A1 Pyrazinyl-substituted naphthalene derivatives HTR4, HCRTR2, CNR2 HTR1A 13/4885HTR1D 22/4885HTR1B 10/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 HTR1A 9/4885HTR1D 21/4885HTR1B 12/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 HTR1A 10/4885HTR1D 18/4885HTR1B 11/4885

“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.