SCHEMBL23928626

SCHEMBL23928626

Cn1cccc1C(=O)N1CCN(c2ccnc(N3CCCC3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
HRH4 Q9H3N8 1/20 0.56
CYP1A2 P05177 12/20 0.55
CYP2C9 P11712 7/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
USP2 O75604 7/20 0.55
HSD17B10 Q99714 6/20 0.55
ALDH1A1 P00352 5/20 0.55
CYP2D6 P10635 4/20 0.55
CYP3A4 P08684 11/20 0.53
CYP2C19 P33261 8/20 0.53
TSHR P16473 4/20 0.53
MAPK1 P28482 3/20 0.53
HIF1A Q16665 3/20 0.53
HPGD P15428 3/20 0.52
CASP1 P29466 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 2/20 0.49
HPGDS O60760 2/20 0.46

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
SCHEMBL23928581 0.84 GAA (0.58) GAACYP1A2CYP2C9SMN1; SMN2USP2
SCHEMBL23928495 0.80 GAA (0.54) GAACYP1A2CYP2C9SMN1; SMN2USP2
SCHEMBL23928553 0.78 GAA (0.57) GAACYP1A2CYP2C9SMN1; SMN2USP2
SCHEMBL16795401 0.78 HRH4 (0.62) GAAHRH4CYP2C9SMN1; SMN2HSD17B10
SCHEMBL23928588 0.77 GAA (0.56) GAACYP1A2CYP2C9SMN1; SMN2USP2
SCHEMBL23928645 0.76 GAA (0.55) GAACYP1A2CYP2C9SMN1; SMN2USP2
SCHEMBL23928523 0.76 MAPT (0.56) GAACYP1A2CYP2C9SMN1; SMN2USP2
SCHEMBL23928540 0.76 MAPT (0.56) GAACYP1A2CYP2C9SMN1; SMN2USP2
SCHEMBL5658689 0.76 USP2 (0.78) GAACYP1A2CYP2C9SMN1; SMN2USP2
SCHEMBL23928506 0.76 GAA (0.54) GAACYP1A2CYP2C9SMN1; SMN2USP2

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 3740/4885HRH4 4175/4885CYP1A2 17/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 GAA 3740/4885HRH4 4175/4885CYP1A2 17/4885

“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.