SCHEMBL6312455

SCHEMBL6312455

CC(C)(C)OC(=O)N1CCC=C(c2cccc3ccc(N(Cc4ccccc4)Cc4ccccc4)cc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
PDK4 Q16654 1/20 0.39
PTPN1 P18031 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
PTPRB P23467 1/20 0.35
PTPN11 Q06124 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ACHE P22303 2/20 0.35
STS P08842 1/20 0.35
MAPK1 P28482 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL22944326 0.82 PDK4 (0.48) LIPGDGAT2PDK4CHRM2CHRM4
SCHEMBL6307308 0.82 BTK (0.39) LIPGJAK2JAK1PDK4PTPN1
SCHEMBL6313559 0.81 CHRNB4 (0.41)
SCHEMBL7801943 0.80 CRHBP (0.36) LIPGJAK2JAK1PTPN1MEN1
SCHEMBL6307124 0.76 CYP11B2 (0.41) LIPGJAK2JAK1PTPN1MEN1
SCHEMBL6308671 0.75 CYP11B2 (0.38) LIPGJAK2JAK1PTPN1MEN1
SCHEMBL3642252 0.74 PDK4 (0.47) DGAT2PDK4MAPK1
SCHEMBL7568497 0.73 JAK2 (0.39) JAK2JAK1MEN1KMT2ACRHBP
SCHEMBL22944325 0.72 MAPK1 (0.44) JAK2JAK1PDK4PTPN1MAPK1
SCHEMBL6309792 0.72 NR1H2 (0.42) JAK2JAK1MEN1KMT2APTPRB

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 LIPG 1592/4885DGAT2 3126/4885JAK2 2333/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 LIPG 1739/4885DGAT2 3438/4885JAK2 1577/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 LIPG 1202/4885DGAT2 2685/4885JAK2 2344/4885

“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.