SCHEMBL17757929

SCHEMBL17757929

CN1CCC2(CC1)Nc1cc(Cl)c(Cl)cc1N=C2NCC1CCCN1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.32
▸ CAMK2D Q13557 1/20 0.31
▸ CHRNB1 P11230 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ CHRNB3 Q05901 1/20 0.31
▸ EHMT2 Q96KQ7 2/20 0.31

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
SCHEMBL17757502 0.77 CCNT1 (0.38) —
SCHEMBL17757674 0.76 HRH4 (0.31) —
SCHEMBL17757659 0.76 CCNT1 (0.40) —
SCHEMBL17757914 0.76 HRH4 (0.40) —
SCHEMBL17757675 0.76 — —
SCHEMBL17757683 0.75 OGA (0.33) EHMT2
SCHEMBL17757927 0.75 OPRM1 (0.30) —
SCHEMBL21982511 0.75 HRH4 (0.42) —
SCHEMBL17757923 0.75 SMN1; SMN2 (0.37) SIGMAR1
SCHEMBL17757664 0.75 TAAR1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 — — US disclosed
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 — — 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 (1 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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 KAT2B 3962/4885SIGMAR1 360/4885CAMK2D 1094/4885

“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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