SCHEMBL21982532

SCHEMBL21982532

CN1CCN(CCN(C)c2cccc(CNC3=Nc4cc(Cl)c(Cl)cc4NC34CCN(C)CC4)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.34
▸ HTR7 P34969 4/20 0.33
▸ SIGMAR1 Q99720 4/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ BRD4 O60885 4/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30

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
SCHEMBL17757679 0.86 SIGMAR1 (0.32) CCNT1SIGMAR1CYP1A2CYP2D6TMEM97
SCHEMBL21982511 0.83 HRH4 (0.42) CCNT1HRH4
SCHEMBL17757502 0.82 CCNT1 (0.38) CCNT1HRH4
SCHEMBL17757672 0.80 PDE7B (0.35) CCNT1SIGMAR1
SCHEMBL21982520 0.78 — —
SCHEMBL17757139 0.78 CDK2 (0.41) CCNT1
SCHEMBL17757144 0.78 CCNT1 (0.33) CCNT1HRH4
SCHEMBL17757659 0.78 CCNT1 (0.40) CCNT1HRH4CYP2D6
SCHEMBL17757915 0.77 HRH4 (0.41) HRH4
SCHEMBL17757671 0.76 GRM2 (0.36) CCNT1HRH4CYP1A2

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 CCNT1 4252/4885HTR7 2146/4885SIGMAR1 360/4885

“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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