SCHEMBL5653897

SCHEMBL5653897

O=C1NCC2CC1c1cccc(F)c12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.55
CHRNA4 P43681 5/20 0.55
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
CHRNA7 P36544 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MTNR1A P48039 1/20 0.35
IKBKB O14920 1/20 0.32
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PBRM1 Q86U86 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL5650973 0.81 CHRNB2 (0.60) CHRNB2CHRNA4HTR2CHTR2B
SCHEMBL4959088 0.76 CHRNB4 (0.50) CHRNB2CHRNA4DDB1CRBNMTNR1A
SCHEMBL4406657 0.71 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL4404968 0.70 CHRNB2 (0.96) CHRNB2CHRNA4CHRNA7
SCHEMBL18117805 0.68 MTNR1A (0.50) CHRNB2CHRNA4DDB1CRBNMTNR1A
SCHEMBL28927762 0.66 HTR2C (0.41) HTR2CHTR2BDDB1CRBNALDH1A1
SCHEMBL28927763 0.66 HTR2C (0.41) HTR2CHTR2BDDB1CRBNALDH1A1
SCHEMBL21606744 0.66 CHRNB2 (0.51) CHRNB2CHRNA4HTR2CHTR2BCHRNA7
SCHEMBL30665167 0.66 CHRNB2 (0.51) CHRNB2CHRNA4HTR2CHTR2BCHRNA7
SCHEMBL1197859 0.66 CALCRL (0.43) CHRNB2CHRNA4HTR2CHTR2BDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066827-A1 Process for the preparation of aryl fused polycyclic lactams PFIZER INC. 2007-03-22 US claimed
EP-1587794-A1 PROCESS FOR THE PREPARATION OF ARYL FUSED POLYCYCLIC LACTAMS Pfizer Products Inc. (US) 2005-10-26 EP claimed
WO-2004063164-A1 PROCESS FOR THE PREPARATION OF ARYL FUSED POLYCYCLIC LACTAMS PFIZER PRODUCTS INC. (US) 2004-07-29 WO claimed
US-20070066827-A1 Process for the preparation of aryl fused polycyclic lactams PFIZER INC. 2007-03-22 US disclosed
EP-1587794-A1 PROCESS FOR THE PREPARATION OF ARYL FUSED POLYCYCLIC LACTAMS Pfizer Products Inc. (US) 2005-10-26 EP disclosed
WO-2004063164-A1 PROCESS FOR THE PREPARATION OF ARYL FUSED POLYCYCLIC LACTAMS PFIZER PRODUCTS INC. (US) 2004-07-29 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-20070066827-A1 Process for the preparation of aryl fused polycyclic lactams PAICS, GRIN2C, FDPS CHRNB2 2093/4885CHRNA4 1122/4885HTR2C 493/4885

“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.