SCHEMBL6313627

SCHEMBL6313627

CN1CCC(c2cccc3ccc(NC(=O)c4ccccc4)cc23)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.49
▸ HTR1F P30939 7/20 0.48
▸ HTR1A P08908 6/20 0.48
▸ HTR1B P28222 5/20 0.48
▸ HTR1D P28221 4/20 0.48
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KCNK3 O14649 1/20 0.43
▸ KCNK9 Q9NPC2 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ KDM1B Q8NB78 1/20 0.42
▸ RCOR1 Q9UKL0 1/20 0.42

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
SCHEMBL6312789 0.94 RORC (0.48) RORCHTR1FHTR1AHTR1BHTR1D
SCHEMBL9053548 0.76 LSS (0.41) RAB9AMEN1KMT2A
SCHEMBL6308769 0.76 NPC1 (0.60) HTR1AHTR1BHTR1DNPC1RAB9A
SCHEMBL13698245 0.75 DRD2 (0.61) —
Oxalic Acid SCHEMBL7481786 0.73 HTR1D (0.78) HTR1FHTR1AHTR1BHTR1D
SCHEMBL6307413 0.73 HTR1D (0.48) HTR1BHTR1D
SCHEMBL7480984 0.71 HTR1D (0.79) HTR1FHTR1AHTR1BHTR1D
SCHEMBL7487628 0.71 HTR1D (0.74) HTR1FHTR1AHTR1BHTR1D
SCHEMBL5216542 0.70 HTR1F (0.82) HTR1FNPC1RAB9AMEN1KMT2A
SCHEMBL7887338 0.69 MCHR1 (0.56) HTR1FHTR1AHTR1BHTR1DNPC1

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 RORC 1640/4885HTR1F 30/4885HTR1A 13/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 RORC 1690/4885HTR1F 38/4885HTR1A 9/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 RORC 1731/4885HTR1F 23/4885HTR1A 10/4885

“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.

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