SCHEMBL6495673

SCHEMBL6495673

O=C1CC(N2CCCC(Cl)(Cl)C2=O)CCN1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CHRM3 P20309 6/20 0.40
CHRM2 P08172 4/20 0.40
FKBP1A P62942 2/20 0.39
DPP4 P27487 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL6491852 0.84 L3MBTL1 (0.61) L3MBTL1HPGDTSHRFKBP1ADPP4
SCHEMBL6495669 0.82 CHRM3 (0.55) CHRM3CHRM2OPRM1OPRK1OPRL1
SCHEMBL5093540 0.77 KMT2A (0.73) MEN1KMT2AL3MBTL1TSHRDDB1
SCHEMBL18660281 0.72 MEN1 (0.45) MEN1KMT2ACHRM3CHRM2
SCHEMBL25237209 0.70 DPP4 (0.53) MEN1KMT2AL3MBTL1HPGDTSHR
SCHEMBL15014611 0.70 ACHE (0.56) KMT2AL3MBTL1HPGDTSHRDPP4
SCHEMBL28596982 0.70 HPGD (0.53) MEN1KMT2AL3MBTL1HPGDTSHR
SCHEMBL25231697 0.70 DPP4 (0.53) MEN1KMT2AL3MBTL1HPGDTSHR
SCHEMBL2223753 0.70 DPP4 (0.53) MEN1KMT2AL3MBTL1HPGDTSHR
SCHEMBL12384461 0.70 HPGD (0.49) MEN1KMT2AL3MBTL1HPGDTSHR

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-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 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-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 MEN1 1315/4885KMT2A 179/4885L3MBTL1 1605/4885

“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.