SCHEMBL23928531

SCHEMBL23928531

O=Cc1ccc(N2CCN(C(=O)c3ccc[nH]3)CC2)cc1N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.49
NAMPT P43490 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GFER P55789 1/20 0.46
CYP3A4 P08684 1/20 0.42
SLC9A1 P19634 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 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
SCHEMBL23928689 0.82 HPGDS (0.49) HPGDSNAMPTNPC1RAB9AGFER
SCHEMBL23928521 0.81 HPGDS (0.48) HPGDSNAMPTNPC1RAB9AGFER
SCHEMBL23928492 0.80 NPSR1 (0.64) NPC1CYP2C19ALDH1A1MAPTNPSR1
SCHEMBL30124665 0.78 NAMPT (0.57) HPGDSNAMPTNPC1RAB9AGFER
SCHEMBL23928559 0.76 MAPT (0.43) NPC1RAB9ACYP3A4CYP2C19ALDH1A1
SCHEMBL15256974 0.72 MAPK1 (0.64) HPGDSNAMPTMAPTMEN1KMT2A
SCHEMBL5833565 0.72 CA12 (0.56) HPGDSNAMPTNPC1RAB9AGFER
SCHEMBL2730032 0.71 CA12 (0.55) HPGDSNAMPTNPC1RAB9AGFER
SCHEMBL30125096 0.70 NAMPT (0.57) HPGDSNAMPTNPC1RAB9AGFER
SCHEMBL30124914 0.69 NAMPT (0.56) HPGDSNAMPTNPC1RAB9AGFER

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 HPGDS 491/4885NAMPT 337/4885NPC1 1219/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 HPGDS 491/4885NAMPT 337/4885NPC1 1219/4885

“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.