SCHEMBL6307308

SCHEMBL6307308

CC(C)(C)OC(=O)N1C=C(c2cccc3ccc(N(Cc4ccccc4)Cc4ccccc4)cc23)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
PTPN1 P18031 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
ALOX5 P09917 1/20 0.33
PDK4 Q16654 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP30 Q70CQ3 1/20 0.33
ACHE P22303 1/20 0.33
AR P10275 1/20 0.33
NR1H2 P55055 1/20 0.32

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
SCHEMBL6312455 0.82 LIPG (0.41) CRHBPCRHR2JAK2JAK1PTPN1
SCHEMBL6308952 0.81 CYP2C19 (0.35) CRHBPCRHR2PTPN1ARNR1H2
SCHEMBL7801943 0.80 CRHBP (0.36) CRHBPCRHR2JAK2JAK1PTPN1
SCHEMBL6309792 0.74 NR1H2 (0.42) JAK2JAK1MEN1KMT2AUSP30
SCHEMBL7568497 0.73 JAK2 (0.39) CRHBPCRHR2JAK2JAK1MEN1
SCHEMBL6308671 0.73 CYP11B2 (0.38) CRHBPCRHR2JAK2JAK1PTPN1
SCHEMBL3650048 0.73 BTK (0.46) BTKPDK4MEN1KMT2A
SCHEMBL6307124 0.73 CYP11B2 (0.41) CRHBPCRHR2JAK2JAK1PTPN1
SCHEMBL6313543 0.71 HTR6 (0.46)
SCHEMBL6313559 0.70 CHRNB4 (0.41)

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 7 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
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 (1 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-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 BTK 3249/4885CRHBP 735/4885CRHR2 46/4885

“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.