SCHEMBL23928661

SCHEMBL23928661

O=C(C=CN1CCCC1)Nc1ccc(N2CCN(C(=O)C3CCCN3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NAMPT P43490 5/20 0.46
KHK P50053 2/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
THRB P10828 1/20 0.44
POLB P06746 1/20 0.44
JAK2 O60674 2/20 0.43
PDGFRB P09619 2/20 0.43
FLT3 P36888 2/20 0.43
IKBKB O14920 1/20 0.43
KIT P10721 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
RPS6KB1 P23443 1/20 0.43

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
SCHEMBL22777858 0.77 MAPT (0.71) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL22777860 0.77 MAPT (0.71) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3631704 0.77 GFER (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3635165 0.77 GFER (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3631702 0.75 HRH3 (0.49) MAPTMEN1KMT2AKHKALDH1A1
SCHEMBL3634266 0.75 HRH3 (0.49) MAPTMEN1KMT2AKHKALDH1A1
SCHEMBL23373357 0.72 PFKFB3 (0.54) MAPTKMT2ARAB9AALDH1A1JAK2
SCHEMBL23373354 0.71 PFKFB3 (0.53) MAPTSMN1; SMN2ALDH1A1JAK2PDGFRB
SCHEMBL4382090 0.71 JAK2 (0.84) JAK2PDGFRBFLT3IKBKBKIT
SCHEMBL4378206 0.71 JAK2 (0.84) JAK2PDGFRBFLT3IKBKBKIT

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 MAPT 4083/4885MEN1 3040/4885KMT2A 1384/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 MAPT 4083/4885MEN1 3040/4885KMT2A 1384/4885

“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.