SCHEMBL21909641

SCHEMBL21909641

Cc1ccc(CN2CCN3C(=O)[C@@H](C)OC[C@@H]3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTA4H P09960 2/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL20522892 0.89 TACR1 (0.43) LMNAPOLBBCHEACHEBACE1
SCHEMBL20522837 0.89 TACR1 (0.43) LMNAPOLBBCHEACHEBACE1
SCHEMBL24912591 0.89 TACR1 (0.43) LMNAPOLBBCHEACHEBACE1
SCHEMBL21125536 0.70 HTR2A (0.38)
SCHEMBL21124389 0.70 HTR2A (0.38)
SCHEMBL16589758 0.69 F9 (0.47) LMNATSHRKMT2ATP53
SCHEMBL7838918 0.69 SIGMAR1 (0.46) ALDH1A1LMNAPOLBACHE
SCHEMBL12375 0.68 ALDH1A1 (0.49) ALDH1A1LMNAPOLBTSHRBCHE
SCHEMBL7989530 0.67 LMNA (0.83) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL11356824 0.67 LMNA (0.83) ALDH1A1LMNAPOLBMEN1KMT2A

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-10632128-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-04-28 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-10632128-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 ALDH1A1 1575/4885LMNA 1400/4885POLB 2632/4885

“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.