SCHEMBL17757916

SCHEMBL17757916

CN1CCC2(CC1)Nc1cc(Cl)c(Cl)cc1N=C2NCc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ KCNN1 Q92952 1/20 0.34
▸ KCNN2 Q9H2S1 1/20 0.34
▸ KCNN3 Q9UGI6 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ UTS2R Q9UKP6 1/20 0.33
▸ TRPC5 Q9UL62 1/20 0.32

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
SCHEMBL17755505 0.88 ALDH1A1 (0.41) SMN1; SMN2RAB9AALDH1A1TSHRNPC1
SCHEMBL21982506 0.84 HRH1 (0.37) HRH4HRH1SMN1; SMN2RAB9AALDH1A1
SCHEMBL17757502 0.84 CCNT1 (0.38) HRH4HRH1PDE5A
SCHEMBL17757659 0.83 CCNT1 (0.40) HRH4MAPTL3MBTL1KDM4EHTT
SCHEMBL17757662 0.82 HRH4 (0.40) HRH4ALDH1A1TSHR
SCHEMBL17757915 0.82 HRH4 (0.41) HRH4NPC1
SCHEMBL21982511 0.81 HRH4 (0.42) HRH4
SCHEMBL17757923 0.81 SMN1; SMN2 (0.37) HRH4HRH1SMN1; SMN2RAB9AALDH1A1
SCHEMBL17757920 0.80 HRH4 (0.40) HRH4HRH1HPGD
SCHEMBL17757925 0.80 PDE10A (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 HRH4 3044/4885HRH1 3236/4885SMN1; SMN2 2747/4885

“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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