SCHEMBL21982462

SCHEMBL21982462

CN1CCC2(CC1)Nc1cc(OCC(N)=O)c(Cl)cc1N=C2N

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ FKBP1A P62942 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL21982525 0.82 LCK (0.38) LMNASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL17757978 0.80 HRH4 (0.37) SMN1; SMN2ALDH1A1HPGDHTTRAB9A
SCHEMBL21982593 0.80 POLB (0.33) LMNASMN1; SMN2KDM4EMAPTTSHR
SCHEMBL17757976 0.77 CCNT1 (0.37) SMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL21982527 0.73 PRKCB (0.31) —
SCHEMBL21982523 0.67 HTT (0.40) HTTMAPT
SCHEMBL21982603 0.65 MEN1 (0.36) SMN1; SMN2ALDH1A1HTTRAB9AMAPT
SCHEMBL17757971 0.64 CCNT1 (0.35) —
SCHEMBL5533199 0.62 LMNA (0.62) LMNASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL17757664 0.62 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 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 LMNA 2101/4885SMN1; SMN2 2747/4885ALDH1A1 2889/4885

“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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