SCHEMBL23928645

SCHEMBL23928645

Cn1cccc1C(=O)N1CCN(c2cc[n+]([O-])c(N3CCCC3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
CYP1A2 P05177 11/20 0.48
CYP3A4 P08684 10/20 0.48
USP2 O75604 9/20 0.48
HIF1A Q16665 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 4/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 8/20 0.47
CYP2C19 P33261 8/20 0.47
CYP2C9 P11712 7/20 0.47
ALDH1A1 P00352 4/20 0.47
TSHR P16473 4/20 0.47
HSD17B10 Q99714 4/20 0.47
MAPK1 P28482 4/20 0.47
CYP2D6 P10635 2/20 0.46
HPGDS O60760 4/20 0.45
ALOX15 P16050 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
SCHEMBL23928553 0.80 GAA (0.57) GAACYP1A2CYP3A4USP2HIF1A
SCHEMBL23928588 0.76 GAA (0.56) GAACYP1A2CYP3A4USP2HIF1A
SCHEMBL23928626 0.76 GAA (0.56) GAACYP1A2CYP3A4USP2HIF1A
SCHEMBL23928523 0.76 MAPT (0.56) GAACYP1A2CYP3A4USP2HIF1A
SCHEMBL23928540 0.76 MAPT (0.56) GAACYP1A2CYP3A4USP2HIF1A
SCHEMBL23928499 0.75 NPSR1 (0.62) GAACYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL5658689 0.75 USP2 (0.78) GAACYP1A2CYP3A4USP2HIF1A
SCHEMBL23928506 0.75 GAA (0.54) GAACYP1A2CYP3A4USP2HIF1A
SCHEMBL23928610 0.74 GAA (0.52) GAACYP1A2CYP3A4USP2HIF1A
SCHEMBL23928631 0.74 GAA (0.52) GAACYP1A2CYP3A4USP2HIF1A

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 3740/4885CYP1A2 17/4885CYP3A4 207/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 GAA 3740/4885CYP1A2 17/4885CYP3A4 207/4885

“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.