SCHEMBL6696989

SCHEMBL6696989

O=C1CNC[C@H](C(=O)O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAD P27708 2/20 0.43
CREBBP Q92793 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CYP2D6 P10635 3/20 0.37
LMNA P02545 2/20 0.37
BLM P54132 2/20 0.37
ALOX15 P16050 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GRIA2 P42262 1/20 0.34

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
SCHEMBL185894 1.00 CAD (0.43) CADCREBBPEGLN1CYP2D6LMNA
SCHEMBL4397383 1.00 CAD (0.43) CADCREBBPEGLN1CYP2D6LMNA
SCHEMBL19532600 0.81 CREBBP (0.34) CADCREBBPCYP2D6KMT2AMAPT
SCHEMBL14385017 0.81 CREBBP (0.34) CADCREBBPCYP2D6KMT2AMAPT
SCHEMBL201819 0.79 CAD (0.41) CADEGLN1CYP2D6LMNABLM
SCHEMBL25045433 0.76 KMT2A (0.42) CREBBPCYP2D6ALOX15CYP1A2CYP2C19
SCHEMBL4393000 0.76 KMT2A (0.42) CREBBPCYP2D6ALOX15CYP1A2CYP2C19
SCHEMBL4453517 0.72 CAD (0.42) CADEGLN1CYP2D6LMNABLM
SCHEMBL22917065 0.72 LMNA (0.37) CYP2D6LMNACYP1A2CYP2C19MEN1
SCHEMBL22169085 0.72 CREBBP (0.33) CREBBPLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20040072860-A1 Piperazin-2-one amides as inhibitors of factor xa MILLENNIUM PHARMACEUTICALS, INC. 2004-04-15 US disclosed
EP-1322643-A1 PIPERAZIN-2-ONE AMIDES AS INHIBITORS OF FACTOR XA Millennium Pharmaceuticals, Inc. (US) 2003-07-02 EP disclosed
WO-2002026734-A1 PIPERAZIN-2-ONE AMIDES AS INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-04-04 WO 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-20040072860-A1 Piperazin-2-one amides as inhibitors of factor xa F2, TFPI, TFPI2 CAD 2791/4885CREBBP 2182/4885EGLN1 120/4885

“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.