SCHEMBL23928689

SCHEMBL23928689

NC(=O)c1ccc(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
CYP3A4 P08684 1/20 0.47
SLC9A1 P19634 1/20 0.47
CYP2C19 P33261 1/20 0.47
NAMPT P43490 1/20 0.47
NPC1 O15118 2/20 0.46
GFER P55789 2/20 0.46
RAB9A P51151 1/20 0.46
CDC7 O00311 2/20 0.44
CDK9 P50750 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL23928531 0.82 HPGDS (0.49) HPGDSCYP3A4SLC9A1CYP2C19NAMPT
SCHEMBL23928521 0.81 HPGDS (0.48) HPGDSCYP3A4SLC9A1CYP2C19NAMPT
SCHEMBL23928492 0.80 NPSR1 (0.64) CYP2C19NPC1MEN1MAPTKMT2A
SCHEMBL3538450 0.80 NPC1 (0.63) CYP2C19NPC1GFERCDC7CDK9
SCHEMBL30125096 0.78 NAMPT (0.57) HPGDSCYP3A4SLC9A1CYP2C19NAMPT
SCHEMBL23928506 0.78 GAA (0.54) HPGDSCYP3A4CYP2C19NPC1MEN1
SCHEMBL23928600 0.76 MAPT (0.43) NPC1GFERCDC7CDK9ROCK2
SCHEMBL3534452 0.75 ALDH1A1 (0.56) NPC1GFERCDC7CDK9ROCK2
Hydrochloric Acid SCHEMBL3539657 0.74 ALDH1A1 (0.55) NPC1GFERCDC7CDK9ROCK2
SCHEMBL3533599 0.74 NPC1 (0.55) CYP2C19NPC1GFERCDC7CDK9

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 491/4885CYP3A4 207/4885SLC9A1 1910/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 HPGDS 491/4885CYP3A4 207/4885SLC9A1 1910/4885

“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.