SCHEMBL6308671

SCHEMBL6308671

CC(C)(C)OC(=O)N1CCCC(O)(c2cccc3ccc(N(Cc4ccccc4)Cc4ccccc4)cc23)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
USP30 Q70CQ3 4/20 0.37
TACR1 P25103 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
PDK2 Q15119 1/20 0.36
SCD5 Q86SK9 1/20 0.35
PTPN1 P18031 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PTPRB P23467 1/20 0.34
PTPN11 Q06124 1/20 0.34

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
SCHEMBL6307124 0.95 CYP11B2 (0.41) CYP11B2JAK2JAK1USP30TACR1
SCHEMBL24838586 0.76 CYP11B2 (0.53) CYP11B2USP30PDK2SCD5HDAC1
SCHEMBL6306629 0.76 CRHBP (0.38) PTPN1KMT2ACRHBPCRHR2
SCHEMBL6312455 0.75 LIPG (0.41) JAK2JAK1TACR1LIPGPTPN1
SCHEMBL2591944 0.74 TACR1 (0.50) JAK2JAK1USP30TACR1PTPN1
SCHEMBL7801943 0.73 CRHBP (0.36) JAK2JAK1USP30LIPGPTPN1
SCHEMBL6307308 0.73 BTK (0.39) JAK2JAK1USP30LIPGPTPN1
SCHEMBL3227930 0.73 KDM1A (0.42) CYP11B2USP30PDK2SCD5MEN1
SCHEMBL27201496 0.72 USP30 (0.42) CYP11B2USP30PDK2SCD5MEN1
SCHEMBL30344305 0.72 CYP11B2 (0.47) CYP11B2USP30PDK2MEN1KMT2A

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 4 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
US-5597826-A Compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER INC. (US) 1997-01-28 US 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 CYP11B2 365/4885JAK2 2333/4885JAK1 3490/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 CYP11B2 368/4885JAK2 1577/4885JAK1 3708/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 CYP11B2 240/4885JAK2 2344/4885JAK1 3904/4885

“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.