SCHEMBL23928588

SCHEMBL23928588

Cn1cccc1C(=O)N1CCN(c2ccc(N)c(N3CCCC3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 5/20 0.53
MAPK1 P28482 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.53
ALOX15 P16050 2/20 0.53
LMNA P02545 1/20 0.53
S100B P04271 1/20 0.53
PKM P14618 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.51
RECQL P46063 1/20 0.51
PTK2B Q14289 1/20 0.51
CYP1A2 P05177 9/20 0.49
USP2 O75604 7/20 0.49
CYP3A4 P08684 7/20 0.49
HIF1A Q16665 4/20 0.49

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
SCHEMBL23928523 0.99 MAPT (0.56) GAAMEN1KMT2AMAPTMAPK1
SCHEMBL23928540 0.99 MAPT (0.56) GAAMEN1KMT2AMAPTMAPK1
SCHEMBL23928553 0.87 GAA (0.57) GAAMEN1KMT2AMAPTMAPK1
SCHEMBL23928506 0.87 GAA (0.54) GAAMEN1KMT2AMAPTMAPK1
SCHEMBL23928499 0.83 NPSR1 (0.62) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL23928631 0.82 GAA (0.52) GAAMEN1KMT2AMAPTMAPK1
SCHEMBL22111256 0.82 NPSR1 (0.64) GAAMEN1KMT2AMAPTMAPK1
SCHEMBL23928610 0.82 GAA (0.52) GAAMEN1KMT2AMAPTMAPK1
SCHEMBL23928580 0.81 GAA (0.49) GAAMEN1KMT2AMAPTMAPK1
SCHEMBL23928546 0.81 GAA (0.49) GAAMEN1KMT2AMAPTMAPK1

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-11548875-B2 Inhibitor compounds for male contraception UNIVERSITY OF WASHINGTON (US) 2023-01-10 US disclosed
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2021-10-28 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 (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-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION ALDH1A1, ALDH3A1, ALDH16A1 GAA 3740/4885MEN1 3040/4885KMT2A 1384/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 GAA 3740/4885MEN1 3040/4885KMT2A 1384/4885

“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.