SCHEMBL21745495

SCHEMBL21745495

CC(C)CCC(=O)NC1CCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HPGD P15428 3/20 0.50
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
NCOR2 Q9Y618 1/20 0.49
EPHX1 P07099 2/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 1/20 0.44

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
SCHEMBL20730856 0.96 SMN1; SMN2 (0.62) SMN1; SMN2RAB9AGAAALDH1A1HPGD
SCHEMBL13780590 0.94 SMN1; SMN2 (0.62) SMN1; SMN2RAB9AGAAALDH1A1HPGD
SCHEMBL16522418 0.92 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AGAAALDH1A1HPGD
SCHEMBL18732878 0.84 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AGAAALDH1A1HPGD
SCHEMBL12578190 0.84 GNAI3 (0.58) SMN1; SMN2RAB9AGAAALDH1A1HPGD
SCHEMBL22858958 0.84 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AGAAALDH1A1HPGD
SCHEMBL21027472 0.82 EPHX2 (0.47) SMN1; SMN2RAB9AGAAALDH1A1HPGD
SCHEMBL15202846 0.82 ACKR3 (0.47) SMN1; SMN2RAB9AGAAALDH1A1CNR2
Hydrochloric Acid SCHEMBL31288642 0.82 GNAI3 (0.60) SMN1; SMN2RAB9AGAAALDH1A1HPGD
SCHEMBL7088489 0.81 ACKR3 (0.52) SMN1; SMN2RAB9AGAAALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2021-03-16 US disclosed
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-20 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 (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-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 SMN1; SMN2 3789/4885RAB9A 2952/4885GAA 2811/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 SMN1; SMN2 3789/4885RAB9A 2952/4885GAA 2811/4885

“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.