SCHEMBL6312789

SCHEMBL6312789

CN1CCCC(c2cccc3ccc(NC(=O)c4ccccc4)cc23)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.48
▸ BTK Q06187 1/20 0.45
▸ HSD11B1 P28845 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSD17B1 P14061 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CTSS P25774 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ KCNK3 O14649 2/20 0.42
▸ KCNK9 Q9NPC2 2/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ HTR1F P30939 2/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6313627 0.94 RORC (0.49) RORCMEN1KMT2AMAPK1CTSS
SCHEMBL9053548 0.83 LSS (0.41) BTKMEN1KMT2ARAB9AALDH1A1
SCHEMBL21369339 0.76 DRD2 (0.55) HRH3KDM4E
SCHEMBL6305712 0.74 DRD2 (0.43) HTR1DHTR1B
SCHEMBL6308769 0.74 NPC1 (0.60) KMT2AMAPK1NPC1RAB9AHTR1A
SCHEMBL6306797 0.71 IKBKB (0.36) —
SCHEMBL6305391 0.70 GABRP (0.52) MEN1KMT2AMAPK1NPC1RAB9A
Oxalic Acid SCHEMBL7481786 0.69 HTR1D (0.78) HTR1FHTR1AHTR1DHTR1B
SCHEMBL30830968 0.69 MYC (0.47) MEN1KMT2AL3MBTL1HTT
SCHEMBL13698245 0.68 DRD2 (0.61) HRH3KDM4E

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 11 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-5821245-A Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1998-10-13 — — US disclosed
EP-0795328-A1 Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1997-09-17 — — 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 1640/4885BTK 3968/4885HSD11B1 645/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 RORC 1690/4885BTK 3249/4885HSD11B1 327/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 RORC 1731/4885BTK 4031/4885HSD11B1 243/4885

“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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