SCHEMBL21169554

SCHEMBL21169554

CC(C)C1CCCN(C(=O)c2ccoc2)C1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 1/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 3/20 0.54
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.43
EPHX2 P34913 1/20 0.42
CCR5 P51681 1/20 0.41
TRPA1 O75762 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
SCHEMBL12986 0.82 RECQL (0.63) KMT2AMEN1POLBALDH1A1CHRNB2
SCHEMBL12449663 0.82 RECQL (0.63) KMT2AMEN1POLBALDH1A1CHRNB2
SCHEMBL19002209 0.82 RECQL (0.63) KMT2AMEN1POLBALDH1A1CHRNB2
SCHEMBL10099560 0.81 HPGD (0.54) KMT2APOLBALDH1A1HPGDRECQL
SCHEMBL12261870 0.81 HPGD (0.54) KMT2APOLBALDH1A1HPGDRECQL
SCHEMBL18082875 0.79 ALDH1A1 (0.54) KMT2AMEN1POLBALDH1A1CHRNB2
SCHEMBL21776398 0.79 ALDH1A1 (0.54) KMT2AMEN1POLBALDH1A1CHRNB2
SCHEMBL18997081 0.79 ALDH1A1 (0.54) KMT2AMEN1POLBALDH1A1CHRNB2
SCHEMBL19002214 0.79 ALDH1A1 (0.54) KMT2AMEN1POLBALDH1A1CHRNB2
SCHEMBL23844428 0.78 KMT2A (0.64) KMT2AMEN1POLBALDH1A1HPGD

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-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 KMT2A 3181/4885MEN1 3536/4885POLB 1722/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 KMT2A 3544/4885MEN1 4080/4885POLB 1589/4885

“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.