SCHEMBL6307023

SCHEMBL6307023

CN1CCN(c2cccc3ccc(NCc4cccc5ccccc45)cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.55
HTR1A P08908 5/20 0.53
HTR1D P28221 5/20 0.53
HTR1B P28222 5/20 0.53
GFER P55789 1/20 0.52
HTR6 P50406 3/20 0.48
EDNRA P25101 1/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
HRH4 Q9H3N8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 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
SCHEMBL6308472 0.87 HTR1A (0.54) ACHEHTR1AHTR1DHTR1BHTR6
SCHEMBL9055201 0.78 HTR1A (0.52) HTR1AHTR1DHTR1BHRH4ALDH1A1
SCHEMBL6002177 0.76 HTR1A (0.62) HTR1AHTR1DHTR1BHTR6DRD2
SCHEMBL6306791 0.74 WDR5 (0.59) HTR1AHTR1DHTR1BHTR6TSHR
SCHEMBL27359418 0.74 HTR1A (0.61) HTR1AHTR1DHTR1BHTR6DRD2
SCHEMBL6305476 0.74 HTR1A (0.54) HTR1AHTR1DHTR1BHTR6DRD2
SCHEMBL6313054 0.74 MAPT (0.61) HTR1AHTR1DHTR1BHTR6DRD2
SCHEMBL6393026 0.73 HTR1A (0.52) HTR1AHTR1DHTR1BDRD2DRD4
SCHEMBL6308769 0.73 NPC1 (0.60) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL7572361 0.73 HTR1A (0.49) HTR1AHTR1DHTR1BHTR6DRD2

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 ACHE 1260/4885HTR1A 13/4885HTR1D 22/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 ACHE 1161/4885HTR1A 9/4885HTR1D 21/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 ACHE 1415/4885HTR1A 10/4885HTR1D 18/4885

“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.