SCHEMBL21982593

SCHEMBL21982593

CN1CCC2(CC1)Nc1cc(Cl)c(Cl)cc1N=C2N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ ADRA2A P08913 1/20 0.33

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
SCHEMBL21982462 0.80 LMNA (0.35) MAPTLMNATSHRKMT2ASMN1; SMN2
SCHEMBL17757664 0.73 TAAR1 (0.33) —
SCHEMBL17757502 0.73 CCNT1 (0.38) HRH2HRH1HTR3AHRH4HRH3
SCHEMBL17757924 0.72 — —
SCHEMBL17757674 0.72 HRH4 (0.31) HRH4
SCHEMBL17757659 0.72 CCNT1 (0.40) MAPTMEN1CYP3A4CYP2D6MAPK1
SCHEMBL17757675 0.71 — —
SCHEMBL17757929 0.71 KAT2B (0.35) SIGMAR1
SCHEMBL17757923 0.71 SMN1; SMN2 (0.37) POLBMAPTCHRM1DRD2DRD4
SCHEMBL17757683 0.71 OGA (0.33) ADRA2BADRA2CSLC6A2HTR2CHTR2B

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 1 patent. 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

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 POLB 4543/4885MAPT 3617/4885CHRM1 4798/4885

“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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