SCHEMBL16809206

SCHEMBL16809206

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
USP2 O75604 1/20 0.45
ACKR3 P25106 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
LMNA P02545 2/20 0.42
TLR8 Q9NR97 1/20 0.42
EPHX2 P34913 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
EPHX1 P07099 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 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
SCHEMBL20374424 0.87 ACKR3 (0.45) SMN1; SMN2USP2ACKR3CHRM2CHRM4
SCHEMBL17271431 0.84 CHRM2 (0.51) SMN1; SMN2USP2ACKR3CHRM2CHRM4
SCHEMBL19928689 0.84 ALDH1A1 (0.43) SMN1; SMN2USP2ACKR3CHRM2CHRM4
SCHEMBL8242595 0.84 USP2 (0.61) SMN1; SMN2USP2ACKR3CHRM2CHRM4
SCHEMBL5883993 0.83 SMN1; SMN2 (0.48) SMN1; SMN2USP2ACKR3CHRM2CHRM4
SCHEMBL728912 0.83 USP2 (0.49) SMN1; SMN2USP2ACKR3CHRM2CHRM4
SCHEMBL5537001 0.83 USP2 (0.49) SMN1; SMN2USP2ACKR3CHRM2CHRM4
SCHEMBL39764 0.81 ACKR3 (0.50) SMN1; SMN2USP2ACKR3CHRM2CHRM4
SCHEMBL3215748 0.81 USP2 (0.47) SMN1; SMN2USP2ACKR3CHRM2CHRM4
SCHEMBL3215755 0.81 L3MBTL1 (0.49) SMN1; SMN2USP2ACKR3CHRM2CHRM4

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 10 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
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 SMN1; SMN2 2947/4885USP2 3352/4885ACKR3 2402/4885
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 SMN1; SMN2 2732/4885USP2 3715/4885ACKR3 2165/4885
US-20160311807-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 SMN1; SMN2 2947/4885USP2 3352/4885ACKR3 2402/4885
US-10633348-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 SMN1; SMN2 2732/4885USP2 3715/4885ACKR3 2165/4885
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 SMN1; SMN2 2947/4885USP2 3352/4885ACKR3 2402/4885
US-20160318878-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 SMN1; SMN2 3085/4885USP2 3410/4885ACKR3 1447/4885

“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.