SCHEMBL18024308

SCHEMBL18024308

N[C@H]1CC[C@H](Oc2ccc3cncc(-c4cc5ccccc5o4)c3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCZ Q05513 15/20 0.50
▸ PIKFYVE Q9Y2I7 1/20 0.41
▸ KMT2A Q03164 2/20 0.38
▸ ACSL3 O95573 1/20 0.36
▸ ACSL1 P33121 1/20 0.36
▸ ACSL6 Q9UKU0 1/20 0.36
▸ CHRNB1 P11230 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNB3 Q05901 1/20 0.36

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
SCHEMBL17981335 1.00 PRKCZ (0.50) PRKCZPIKFYVEKMT2AACSL3ACSL1
SCHEMBL18024342 1.00 PRKCZ (0.50) PRKCZPIKFYVEKMT2AACSL3ACSL1
SCHEMBL17981095 0.88 PRKCZ (0.62) PRKCZ
SCHEMBL18024235 0.85 PIKFYVE (0.39) PRKCZPIKFYVEKMT2ACHRNB1CHRNB2
SCHEMBL17981244 0.85 PIKFYVE (0.39) PRKCZPIKFYVEKMT2ACHRNB1CHRNB2
SCHEMBL18024307 0.84 PRKCZ (0.46) PRKCZKMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL17981187 0.84 PRKCZ (0.46) PRKCZKMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL18024164 0.84 PIKFYVE (0.46) PRKCZPIKFYVEKMT2AACSL3ACSL1
SCHEMBL18024551 0.83 KMT2A (0.39) PRKCZPIKFYVEKMT2ACHRNB1CHRNB2
SCHEMBL17980982 0.83 KMT2A (0.39) PRKCZPIKFYVEKMT2ACHRNB1CHRNB2

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 PRKCZ 3463/4885PIKFYVE 3587/4885KMT2A 2508/4885
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 PRKCZ 3470/4885PIKFYVE 3584/4885KMT2A 2476/4885

“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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