SCHEMBL21982460

SCHEMBL21982460

CN1CCC(NN2/C(=N/Cc3cccc(Cl)c3)C3(CCN(C)CC3)Nc3ccccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.43
▸ CARM1 Q86X55 2/20 0.35
▸ PRMT6 Q96LA8 2/20 0.35
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ DRD4 P21917 2/20 0.32
▸ AMPD2 Q01433 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ DRD2 P14416 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
SCHEMBL17757957 0.92 MEN1 (0.37) ACAT2HDAC1HDAC6DRD4POLB
SCHEMBL17757268 0.81 ACAT2 (0.46) ACAT2HTR6SIGMAR1HDAC1HDAC6
SCHEMBL17757274 0.79 ACAT2 (0.54) ACAT2CARM1PRMT6HTR2CHTR2B
SCHEMBL17757949 0.75 ACAT2 (0.43) ACAT2HTR6SIGMAR1AMPD2GAA
SCHEMBL17757272 0.75 ACAT2 (0.50) ACAT2SIGMAR1AMPD2GAA
SCHEMBL17757974 0.74 ACAT2 (0.42) ACAT2SLC6A4HTR6SIGMAR1AMPD2
SCHEMBL17757960 0.70 ACAT2 (0.39) ACAT2SIGMAR1GAAPOLB
SCHEMBL17757961 0.70 ACAT2 (0.39) ACAT2HTR2CHTR2BSLC6A4HTR6
SCHEMBL17757946 0.70 SMN1; SMN2 (0.37) ACAT2HTR2CHTR2BSLC6A4GAA
SCHEMBL17757269 0.69 ACAT2 (0.56) ACAT2HTR2CHTR2BSLC6A4HTR6

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 ACAT2 1935/4885CARM1 3360/4885PRMT6 4009/4885

“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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