SCHEMBL17981380

SCHEMBL17981380

CC(C)(C)OC(=O)N1CCC(Oc2ccc3cncc(-c4cc5ccccc5o4)c3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.46
▸ MMP13 P45452 1/20 0.44
▸ GPR119 Q8TDV5 7/20 0.43
▸ PRKCZ Q05513 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ CYP11B2 P19099 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
SCHEMBL18024153 0.81 IDO1 (0.45) GPR119CYP11B2
SCHEMBL18024308 0.78 PRKCZ (0.50) PRKCZ
SCHEMBL18024342 0.78 PRKCZ (0.50) PRKCZ
SCHEMBL17981335 0.78 PRKCZ (0.50) PRKCZ
SCHEMBL7455853 0.78 GPR119 (0.59) GPR119HRH3CHEK2
SCHEMBL17981187 0.77 PRKCZ (0.46) PRKCZCYP11B2
SCHEMBL18024307 0.77 PRKCZ (0.46) PRKCZCYP11B2
SCHEMBL23360628 0.75 PIK3CD (0.54) PIK3CDGPR119CYP11B2
SCHEMBL2503394 0.75 GPR119 (0.54) GPR119PRKCZHRH3CHEK2
SCHEMBL29862920 0.75 PIK3CD (0.54) PIK3CDGPR119CYP11B2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARM INT AG (CH) 2020-01-30 — — US disclosed
US-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2018-01-04 — — US disclosed
EP-3256217-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2017-12-20 — — EP disclosed
WO-2016128465-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-08-18 — — WO disclosed
WO-2016128465-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-08-18 — — 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-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 PIK3CD 4365/4885MMP13 3188/4885GPR119 2754/4885
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 PIK3CD 4363/4885MMP13 3191/4885GPR119 2753/4885

“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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