SCHEMBL19928655

SCHEMBL19928655

CC(=O)N1CCN(CCC(=O)NC(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
PIK3CD O00329 1/20 0.51
ALDH1A1 P00352 1/20 0.48
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
PRCP P42785 1/20 0.39
DRD3 P35462 1/20 0.39
AVPR1B P47901 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL23464919 0.89 MAPT (0.50) SIGMAR1ALDH1A1CHRM5CHRM3TDP1
SCHEMBL20355864 0.86 SIGMAR1 (0.49) SIGMAR1PIK3CDALDH1A1CYP1A2TDP1
SCHEMBL27976690 0.84 MAPT (0.58) ALDH1A1CHRM5CHRM3MAPTMEN1
SCHEMBL20374376 0.84 SIGMAR1 (0.50) SIGMAR1PIK3CDCYP1A2TDP1KMT2A
SCHEMBL7144885 0.82 MAPT (0.61) ALDH1A1CHRM5CHRM3CYP1A2MAPT
SCHEMBL24530727 0.81 CHRM5 (0.44) SIGMAR1ALDH1A1CHRM5CHRM3TDP1
SCHEMBL16809207 0.81 SIGMAR1 (0.56) SIGMAR1PIK3CDALDH1A1CYP1A2TDP1
SCHEMBL19928689 0.79 ALDH1A1 (0.43) ALDH1A1CHRM3MAPTMEN1MAPK1
SCHEMBL13396798 0.78 SMN1; SMN2 (0.61) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL13588710 0.77 PIK3CD (0.56) SIGMAR1PIK3CDALDH1A1CYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50030-E1 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-02 US disclosed
US-10633348-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-28 US disclosed
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-24 US disclosed
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. 2018-07-12 US disclosed
US-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-05 US disclosed
US-9908872-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 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 (4 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-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 SIGMAR1 4181/4885PIK3CD 354/4885ALDH1A1 4199/4885
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 SIGMAR1 4097/4885PIK3CD 338/4885ALDH1A1 3752/4885
US-10633348-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 SIGMAR1 4097/4885PIK3CD 338/4885ALDH1A1 3752/4885
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 SIGMAR1 4181/4885PIK3CD 354/4885ALDH1A1 4199/4885

“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.