SCHEMBL6697646

SCHEMBL6697646

N#Cc1ccc(CN2CCNCC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.48
HTR2C P28335 1/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2D6 P10635 1/20 0.44
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
OPRM1 P35372 1/20 0.40
ACACB O00763 1/20 0.40
CYP2C9 P11712 1/20 0.40
PRMT5 O14744 3/20 0.40
WDR77 Q9BQA1 3/20 0.40
DPP4 P27487 1/20 0.40

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
Hydrochloric Acid SCHEMBL6887389 0.98 USP2 (0.47) USP2HTR2CTSHRSMN1; SMN2CYP2D6
SCHEMBL25045500 0.84 KCNJ1 (0.48) USP2HTR2CTSHRKCNJ1KCNH2
SCHEMBL3906515 0.82 SLC6A2 (0.47) CYP19A1POLBMEN1KMT2ACYP2C9
SCHEMBL4692001 0.82 MEN1 (0.47) SMN1; SMN2KCNH2ALDH1A1POLBMEN1
Hydrochloric Acid SCHEMBL6886546 0.81 SLC6A2 (0.46) CYP19A1POLBMEN1KMT2ACYP2C9
SCHEMBL14863940 0.81 HTR2C (0.43) HTR2CSMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL24648953 0.81 MGLL (0.43) HTR2CSMN1; SMN2KCNH2ALDH1A1POLB
SCHEMBL20129619 0.81 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL25271016 0.81 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1POLB
SCHEMBL27572978 0.81 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP 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
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 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 USP2 3577/4885HTR2C 2911/4885TSHR 2113/4885

“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.