SCHEMBL20116223

SCHEMBL20116223

O=C(c1ccccc1F)N1CCC(c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.41
GRM5 P41594 4/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RBP4 P02753 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37
TPSAB1 Q15661 1/20 0.37

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
SCHEMBL20116228 0.90 HSD11B1 (0.47) SMN1; SMN2UBE2MDCUN1D1EGLN1HSD11B1
SCHEMBL20116378 0.89 RBP4 (0.38) SMN1; SMN2RBP4CYP2C9CYP2C19KCNH2
SCHEMBL20116840 0.88 MGLL (0.46) SMN1; SMN2HSD11B1ALDH1A1LMNACYP2C9
SCHEMBL20116891 0.87 ALDH1A1 (0.43) SMN1; SMN2MAPTGRM5ALDH1A1MEN1
SCHEMBL20676311 0.85 TBK1 (0.45) SMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL20116172 0.83 USP7 (0.38) SMN1; SMN2KMT2ALMNACYP2C9CYP2C19
SCHEMBL20116396 0.83 TBK1 (0.46) SMN1; SMN2GRM5HSD11B1ALDH1A1
SCHEMBL20116089 0.83 SMO (0.42) SMN1; SMN2ALDH1A1KMT2ALMNAKDM4E
SCHEMBL20116230 0.83 SMN1; SMN2 (0.39) SMN1; SMN2HSD11B1RBP4
SCHEMBL20676660 0.82 USP7 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 SMN1; SMN2 13/4885MAPT 22/4885GRM5 68/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMN1; SMN2 13/4885MAPT 22/4885GRM5 68/4885

“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.