SCHEMBL5746448

SCHEMBL5746448

Cc1cc(F)ccc1C1C2CN(Cc3ccccc3)CC2CN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
GRIN2B Q13224 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SIGMAR1 Q99720 3/20 0.39
FUCA1 P04066 2/20 0.38
ACHE P22303 1/20 0.38
FAAH O00519 1/20 0.38
MAOB P27338 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6317296 0.89 DRD2 (0.41) DRD2DRD3GRIN2BKMT2AMEN1
SCHEMBL5746496 0.87 GRIN2B (0.44) DRD2DRD3GRIN2BFUCA1ALDH1A1
SCHEMBL5747642 0.86 HSD11B1 (0.44) DRD2DRD3GRIN2BKMT2AMEN1
SCHEMBL6319234 0.78 GRIN2B (0.49) GRIN2BFUCA1ALDH1A1
SCHEMBL2801968 0.78 SCN4A (0.43) DRD2DRD3GRIN2BKMT2ASIGMAR1
SCHEMBL6311508 0.77 KDM4E (0.41) GRIN2BSIGMAR1ALDH1A1POLB
SCHEMBL5748184 0.77 HSD11B1 (0.41) DRD2DRD3GRIN2BKMT2AMEN1
SCHEMBL6310196 0.76 CACNA1G (0.44) GRIN2BSIGMAR1POLB
SCHEMBL5745277 0.76 TACR1 (0.39)
SCHEMBL6309643 0.75 DRD2 (0.47) DRD2DRD3GRIN2BKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638935-A1 NK1 ANTAGONIST Pfizer Products Inc. (US) 2006-03-29 EP disclosed
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 US disclosed
WO-2004110996-A1 NK1 ANTAGONIST PFIZER PRODUCTS INC. (US) 2004-12-23 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 DRD2 701/4885DRD3 948/4885GRIN2B 296/4885

“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.