SCHEMBL23928580

SCHEMBL23928580

Cn1cccc1C(=O)N1CCN(c2ccc(NC(=O)C(Cl)Cl)c(N3CCCCC3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
HPGDS O60760 6/20 0.49
CSF1R P07333 4/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 6/20 0.43
CYP1A2 P05177 6/20 0.43
CYP3A4 P08684 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C9 P11712 3/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL23928546 1.00 GAA (0.49) GAAHPGDSCSF1RMAPTPOLB
SCHEMBL23928540 0.83 MAPT (0.56) GAAHPGDSMAPTPOLBUSP2
SCHEMBL23928523 0.83 MAPT (0.56) GAAHPGDSMAPTPOLBUSP2
SCHEMBL23928588 0.81 GAA (0.56) GAAHPGDSMAPTPOLBUSP2
SCHEMBL22111258 0.81 GAA (0.48) GAAHPGDSMAPTPOLBUSP2
SCHEMBL23928553 0.80 GAA (0.57) GAAHPGDSMAPTPOLBUSP2
SCHEMBL23928506 0.78 GAA (0.54) GAAHPGDSMAPTPOLBUSP2
SCHEMBL22111256 0.77 NPSR1 (0.64) GAAMAPTPOLBCYP1A2MEN1
SCHEMBL23928499 0.76 NPSR1 (0.62) GAAMAPTCYP1A2MEN1KMT2A
SCHEMBL23928630 0.76 NPY2R (0.51) GAAHPGDSPOLBUSP2CYP1A2

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 3740/4885HPGDS 491/4885CSF1R 3364/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 GAA 3740/4885HPGDS 491/4885CSF1R 3364/4885

“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.