SCHEMBL5747422

SCHEMBL5747422

O=C(O)N1CC2CC(CN(Cc3ccccc3)C2)C1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.51
GRIN2B Q13224 4/20 0.45
KDM1A O60341 3/20 0.45
S1PR5 Q9H228 2/20 0.45
S1PR1 P21453 1/20 0.45
FUCA1 P04066 2/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL6309403 0.88 HSD11B1 (0.47) HSD11B1GRIN2BKDM1AS1PR5S1PR1
SCHEMBL5746618 0.86 HSD11B1 (0.46) HSD11B1GRIN2BS1PR5S1PR1FUCA1
SCHEMBL6335547 0.84 HSD11B1 (0.51) HSD11B1GRIN2BKDM1AS1PR5S1PR1
SCHEMBL4318880 0.83 HSD11B1 (0.65) HSD11B1GRIN2BS1PR5S1PR1FUCA1
SCHEMBL6319234 0.83 GRIN2B (0.49) GRIN2BKDM1AS1PR5S1PR1FUCA1
SCHEMBL5747642 0.80 HSD11B1 (0.44) HSD11B1GRIN2BFUCA1MAOB
SCHEMBL6318888 0.76 S1PR5 (0.53) HSD11B1GRIN2BS1PR5S1PR1FUCA1
SCHEMBL6312719 0.75 HSD11B1 (0.43) HSD11B1GRIN2BS1PR5S1PR1
SCHEMBL2955795 0.74 FUCA1 (0.60) S1PR5S1PR1FUCA1
SCHEMBL5747751 0.74 CACNA1G (0.43) HSD11B1GRIN2BS1PR5S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638935-A1 NK1 ANTAGONIST Pfizer Products Inc. (US) 2006-03-29 EP claimed
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 US claimed
WO-2004110996-A1 NK1 ANTAGONIST PFIZER PRODUCTS INC. (US) 2004-12-23 WO claimed
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 US 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 HSD11B1 2277/4885GRIN2B 296/4885KDM1A 1794/4885

“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.