SCHEMBL6307124

SCHEMBL6307124

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.41
USP30 Q70CQ3 2/20 0.40
TACR1 P25103 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
SCD5 Q86SK9 1/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
PDK2 Q15119 1/20 0.37
RORC P51449 2/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
PTPN1 P18031 1/20 0.36
MEN1 O00255 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
SCHEMBL6308671 0.95 CYP11B2 (0.38) CYP11B2USP30TACR1JAK2JAK1
SCHEMBL24838586 0.82 CYP11B2 (0.53) CYP11B2USP30SCD5HDAC1HDAC8
SCHEMBL2591944 0.80 TACR1 (0.50) USP30TACR1JAK2JAK1OPRD1
SCHEMBL6306629 0.79 CRHBP (0.38) PTPN1KMT2ACRHBPCRHR2
SCHEMBL6312455 0.76 LIPG (0.41) TACR1JAK2JAK1LIPGPTPN1
SCHEMBL14660533 0.73 RORC (0.45) CYP11B2USP30TACR1SCD5OPRD1
SCHEMBL25156423 0.73 CYP11B2 (0.47) CYP11B2USP30HDAC1HDAC8HDAC6
SCHEMBL30344305 0.73 CYP11B2 (0.47) CYP11B2USP30HDAC1HDAC8HDAC6
SCHEMBL7801943 0.73 CRHBP (0.36) USP30JAK2JAK1HDAC1HDAC6
SCHEMBL7568497 0.73 JAK2 (0.39) TACR1JAK2JAK1MEN1KMT2A

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 8 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-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 (2 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 CYP11B2 365/4885USP30 4544/4885TACR1 93/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 CYP11B2 368/4885USP30 4832/4885TACR1 125/4885

“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.