SCHEMBL4724686

SCHEMBL4724686

NCC1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 2/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
ACHE P22303 1/20 0.51
MGLL Q99685 1/20 0.50
HSD11B1 P28845 1/20 0.50
FASN P49327 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
RIPK1 Q13546 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49

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
SCHEMBL3284624 0.89 ACHE (0.55) KMT2ASMN1; SMN2HPGDACHECA12
SCHEMBL6158231 0.86 ACHE (0.63) SMN1; SMN2HPGDACHEMGLLHSD11B1
SCHEMBL4724682 0.82 SMN1; SMN2 (0.66) KMT2ASMN1; SMN2MEN1HPGDTSHR
SCHEMBL12207373 0.80 CHRNB2 (0.56) HPGDACHECA12CA1CA2
SCHEMBL11909770 0.80 HPGD (0.45) SMN1; SMN2HPGDTSHRHSD11B1FASN
SCHEMBL6083 0.80 HPGD (0.45) SMN1; SMN2HPGDTSHRHSD11B1FASN
SCHEMBL6085 0.80 HPGD (0.45) SMN1; SMN2HPGDTSHRHSD11B1FASN
SCHEMBL17875066 0.77 EPHX1 (0.53) SMN1; SMN2HPGDACHECA12CA1
SCHEMBL7364546 0.76 HDAC3 (0.64) HPGDACHEMGLLHSD11B1HDAC3
SCHEMBL9029952 0.75 SMN1; SMN2 (0.82) KMT2ASMN1; SMN2MEN1ACHEMGLL

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
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US claimed
EP-1684744-A4 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-17 EP disclosed
EP-1684744-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-08-02 EP disclosed
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US disclosed
WO-2005032472-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 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-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors PEPD, SERPINE1, PRSS1 KMT2A 2655/4885SMN1; SMN2 3597/4885MEN1 3294/4885

“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.