SCHEMBL16809205

SCHEMBL16809205

CCC1CCC(N2CCN(C(C)=O)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
HRH3 Q9Y5N1 2/20 0.38
KCNH2 Q12809 1/20 0.38
PIK3CD O00329 1/20 0.38
IRAK1 P51617 2/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
IRAK3 Q9Y616 2/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CCNT1 O60563 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL20355941 1.00 MEN1 (0.43) MEN1KMT2ACYP1A2TDP1KDM4E
SCHEMBL15508283 0.87 CYP1A2 (0.52) CYP1A2TDP1KDM4EALDH1A1ALOX15
SCHEMBL12651153 0.86 CHRM1 (0.45) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL14013049 0.84 PLG (0.40) CYP1A2TDP1KDM4EALDH1A1ALOX15
SCHEMBL12829317 0.84 PIK3CD (0.43) CYP1A2TDP1KDM4EHRH3PIK3CD
SCHEMBL24267480 0.83 HPGD (0.47) MEN1KMT2AALDH1A1HRH3ACACB
SCHEMBL22175015 0.82 KMT2A (0.50) MEN1KMT2AKDM4EALDH1A1ALOX15
SCHEMBL24619026 0.82 KMT2A (0.50) MEN1KMT2AKDM4EALDH1A1ALOX15
SCHEMBL15342497 0.81 CYP1A2 (0.37) CYP1A2TDP1HRH3KCNH2PIK3CD
Cyanide SCHEMBL27976810 0.81 CYP1A2 (0.46) CYP1A2TDP1KDM4EALDH1A1HRH3

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
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-24 US disclosed
US-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-05 US disclosed
WO-2015089479-A1 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 (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-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 MEN1 1914/4885KMT2A 1165/4885CYP1A2 3850/4885
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 MEN1 1914/4885KMT2A 1165/4885CYP1A2 3850/4885

“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.