SCHEMBL18024153

SCHEMBL18024153

CC(C)(C)OC(=O)N1CCN(Cc2ccc3cncc(-c4cc5ccccc5o4)c3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.45
▸ TDO2 P48775 1/20 0.45
▸ IDO2 Q6ZQW0 1/20 0.45
▸ CYP11B2 P19099 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CCNK O75909 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40
▸ TBK1 Q9UHD2 2/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ BACE1 P56817 1/20 0.39

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
SCHEMBL17981417 0.87 GRIN2B (0.47) GRIN2BMEN1KMT2AALDH1A1HSD17B10
SCHEMBL17981013 0.85 AKT1 (0.43) NSD2
SCHEMBL18024501 0.83 CHKA (0.47) IDO1TDO2IDO2ALDH1A1
SCHEMBL17981380 0.81 PIK3CD (0.46) CYP11B2GPR119
SCHEMBL18024249 0.81 ACHE (0.46) GRIN2B
SCHEMBL30468227 0.80 SMARCA2 (0.43) IDO1TDO2IDO2GPR119GRIN2B
SCHEMBL18024337 0.79 ACHE (0.53) ALDH1A1
SCHEMBL18024152 0.79 IDO1 (0.49) IDO1TDO2IDO2CYP11B2GPR119
SCHEMBL17981325 0.79 PRKCQ (0.46) ALDH1A1
SCHEMBL17981234 0.78 MCHR1 (0.48) —

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 3 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
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 IDO1 1686/4885TDO2 204/4885IDO2 1790/4885
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 IDO1 1681/4885TDO2 204/4885IDO2 1775/4885

“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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