SCHEMBL4723273

SCHEMBL4723273

NCC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.56
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
LSS P48449 1/20 0.53
SLC9A1 P19634 1/20 0.48
CYP3A4 P08684 1/20 0.48
BAZ2B Q9UIF8 1/20 0.48
GPR119 Q8TDV5 1/20 0.47
ADH5 P11766 1/20 0.46
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.44
MMP1 P03956 2/20 0.44
NAMPT P43490 1/20 0.43
MAPT P10636 2/20 0.42
ADRB1 P08588 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL4723269 0.82 HTR2A (0.57) F10HTR2AHTR2CHTR2BLSS
SCHEMBL8537654 0.82 HTR2A (0.59) F10HTR2AHTR2CHTR2BLSS
Hydrochloric Acid SCHEMBL8539581 0.81 HTR2A (0.58) F10HTR2AHTR2CHTR2BLSS
SCHEMBL8536934 0.77 HTR2A (0.60) F10HTR2AHTR2CHTR2BLSS
Hydrochloric Acid SCHEMBL8537801 0.76 HTR2A (0.59) F10HTR2AHTR2CHTR2BLSS
SCHEMBL8537464 0.76 SLC9A1 (0.49) F10HTR2AHTR2CHTR2BLSS
SCHEMBL17888330 0.76 KMT2A (0.56) KMT2ALMNA
SCHEMBL3284624 0.76 ACHE (0.55) KMT2A
SCHEMBL8535112 0.75 HTR2A (0.54) F10HTR2AHTR2CHTR2BLSS
SCHEMBL16758369 0.74 L3MBTL3 (0.41) KMT2A

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 F10 24/4885HTR2A 3608/4885HTR2C 3987/4885

“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.