SCHEMBL19640106

SCHEMBL19640106

C[C@H](N)C(=O)N1CCCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.47
CHRM3 P20309 2/20 0.47
CHRM1 P11229 1/20 0.47
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HTR1A P08908 1/20 0.40

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
SCHEMBL19640023 1.00 HTT (0.49) HTTLMNACHRM3CHRM1CYP1A2
SCHEMBL14365561 0.92 CYP1A2 (0.50) CHRM3CHRM1CYP1A2TDP1HSD17B10
SCHEMBL2364758 0.92 CYP1A2 (0.50) CHRM3CHRM1CYP1A2TDP1HSD17B10
SCHEMBL14312045 0.92 CYP1A2 (0.50) CHRM3CHRM1CYP1A2TDP1HSD17B10
Hydrochloric Acid SCHEMBL27570937 0.90 CYP1A2 (0.48) HTTCHRM3CHRM1CYP1A2TDP1
Hydrochloric Acid SCHEMBL28730328 0.90 CYP1A2 (0.48) HTTCHRM3CHRM1CYP1A2TDP1
Hydrochloric Acid SCHEMBL6895435 0.90 CYP1A2 (0.48) HTTCHRM3CHRM1CYP1A2TDP1
Hydrochloric Acid SCHEMBL29646459 0.90 CYP1A2 (0.48) HTTCHRM3CHRM1CYP1A2TDP1
SCHEMBL14656016 0.88
SCHEMBL26644135 0.88

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464268-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2020-03-11 EP disclosed
US-10172830-B2 Pyrazolone compounds having human neutrophil elastase inhibitory properties CHIESI FARMACEUTICI S.P.A. (IT) 2019-01-08 US disclosed
US-20170340611-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-30 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 (2 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-20170340611-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO HTT 1999/4885LMNA 2409/4885CHRM3 4577/4885
US-10172830-B2 Pyrazolone compounds having human neutrophil elastase inhibitory properties SERPINB1, ELANE, EPX HTT 1405/4885LMNA 1808/4885CHRM3 4642/4885

“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.