SCHEMBL16809207

SCHEMBL16809207

CNC(=O)CCN1CCN(C(C)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
PIK3CD O00329 1/20 0.47
CYP1A2 P05177 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
DRD3 P35462 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTR7 P34969 3/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM1A O60341 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 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
SCHEMBL18538879 0.88 MAPT (0.50) SIGMAR1MAPTPOLBHTTSMN1; SMN2
SCHEMBL29300046 0.88
SCHEMBL13184240 0.82 TP53 (0.53) MAPTALDH1A1SMN1; SMN2
SCHEMBL12847850 0.82 MAPT (0.60) SIGMAR1MAPTPOLBHTTALDH1A1
SCHEMBL10153805 0.81 PKM (0.57) MAPTPOLBHTTALDH1A1SMN1; SMN2
SCHEMBL12252064 0.81 PKM (0.45) MAPTPOLBHTTSMN1; SMN2PKM
SCHEMBL13793792 0.81 ALDH1A1 (0.53) PIK3CDCYP1A2TDP1MAPTHTT
SCHEMBL19928655 0.81 SIGMAR1 (0.56) SIGMAR1PIK3CDCYP1A2TDP1DRD3
SCHEMBL26448356 0.81 SMN1; SMN2 (0.64) SIGMAR1PIK3CDCYP1A2TDP1DRD3
SCHEMBL5109896 0.80 MAPT (0.62) CYP1A2MAPTPOLBHTTALDH1A1

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 11 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
WO-2021189051-A1 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2021-09-23 WO 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
US-20160318878-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-03 US disclosed
US-20160311807-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-27 US disclosed
WO-2015089479-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-06-18 WO disclosed
WO-2015089481-A2 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-06-18 WO 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 (6 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 354/4885CYP1A2 3850/4885
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 SIGMAR1 4097/4885PIK3CD 338/4885CYP1A2 3371/4885
US-20160311807-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 SIGMAR1 4181/4885PIK3CD 354/4885CYP1A2 3850/4885
US-10633348-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 SIGMAR1 4097/4885PIK3CD 338/4885CYP1A2 3371/4885
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 SIGMAR1 4181/4885PIK3CD 354/4885CYP1A2 3850/4885
US-20160318878-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 SIGMAR1 4259/4885PIK3CD 372/4885CYP1A2 2871/4885

“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.