SCHEMBL25595643

SCHEMBL25595643

COC1CN(C(=O)C2CCN(C(C)S)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB2 P17787 5/20 0.34
CHRNA3 P32297 5/20 0.34
CHRNA4 P43681 5/20 0.34
CHRNB3 Q05901 4/20 0.34
CHRNA6 Q15825 4/20 0.34
HSD11B1 P28845 2/20 0.34
NAMPT P43490 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA7 P36544 1/20 0.33
TSHR P16473 1/20 0.33
HSD11B2 P80365 1/20 0.33
ATR Q13535 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL23776750 0.88 HRH3 (0.56) HRH3SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL24707744 0.80 CHRNB2 (0.50) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25094644 0.76 CHRNB2 (0.41) HRH3SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL25584716 0.76 HRH3 (0.48) HRH3SMN1; SMN2KMT2AHSD11B1ALDH1A1
SCHEMBL18051840 0.75 HSD11B1 (0.60) SMN1; SMN2NPC1RAB9AKMT2ACHRNB2
SCHEMBL19504480 0.75 HPGD (0.41) HRH3SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL21016656 0.74 HRH3 (0.34) HRH3
SCHEMBL25583774 0.74 HRH3 (0.34) HRH3
SCHEMBL26170649 0.74 HRH3 (0.55) HRH3SMN1; SMN2CHRNB2CHRNA3CHRNA4
SCHEMBL24342185 0.74 CHRNB2 (0.44) SMN1; SMN2NPC1RAB9AKMT2ACHRNB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 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 (1 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-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 HRH3 1991/4885SMN1; SMN2 1715/4885NPC1 3595/4885

“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.