SCHEMBL22320488

SCHEMBL22320488

CC(O)CCN1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD11B1 P28845 1/20 0.34
FAAH O00519 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL4315666 0.88 PIK3CD (0.46) PIK3CDALDH1A1POLBTP53SMN1; SMN2
SCHEMBL9319178 0.82 HRH3 (0.38) TP53SMN1; SMN2
SCHEMBL26655296 0.82 PIK3CD (0.52) PIK3CDALDH1A1KDM4E
SCHEMBL26655290 0.82 PIK3CD (0.52) PIK3CDALDH1A1KDM4E
SCHEMBL10024737 0.80 HSD17B10 (0.44) TP53SMN1; SMN2MAPK1
SCHEMBL4760268 0.79 BLM (0.47) PIK3CDALDH1A1POLBTP53SMN1; SMN2
SCHEMBL19209544 0.79 PIK3CD (0.35) PIK3CDALDH1A1POLBTP53SMN1; SMN2
SCHEMBL4319439 0.77 HRH3 (0.47) ALDH1A1POLBSMN1; SMN2CYP2C19KDM4E
SCHEMBL27320487 0.77 KDM4E (0.52) ALDH1A1POLBKDM4E
SCHEMBL25304200 0.76 GAA (0.41) ALDH1A1POLBTP53SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 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 (1 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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 PIK3CD 3635/4885ALDH1A1 647/4885POLB 2320/4885

“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.