SCHEMBL5162373

SCHEMBL5162373

CCOC(=O)C12CC1CN(S(=O)(=O)c1ccc(C)cc1)C2c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.57
TSHR P16473 3/20 0.57
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 7/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.45
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.41
MMP2 P08253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
FKBP1A P62942 1/20 0.40

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
SCHEMBL5161180 0.87 NPSR1 (0.52) GAATSHRNPSR1ALDH1A1LMNA
SCHEMBL5162595 0.87 NPSR1 (0.52) GAATSHRNPSR1ALDH1A1LMNA
SCHEMBL5161839 0.85 NPSR1 (0.50) GAATSHRNPSR1ALDH1A1LMNA
SCHEMBL5161971 0.85 NPSR1 (0.50) GAATSHRNPSR1ALDH1A1LMNA
SCHEMBL5161835 0.85 NPSR1 (0.50) GAATSHRNPSR1ALDH1A1LMNA
SCHEMBL14446203 0.80 NPSR1 (0.45) GAATSHRNPSR1ALDH1A1LMNA
SCHEMBL5188024 0.77 NPSR1 (0.51) GAATSHRNPSR1ALDH1A1LMNA
SCHEMBL5164026 0.77 NPSR1 (0.51) GAATSHRNPSR1ALDH1A1LMNA
SCHEMBL5409593 0.77 NPSR1 (0.51) GAATSHRNPSR1ALDH1A1LMNA
SCHEMBL5164018 0.77 NPSR1 (0.51) GAATSHRNPSR1ALDH1A1LMNA

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-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 US disclosed
US-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 US disclosed
EP-1756056-A1 AZA-BICYCLO[3.1.0]HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-28 EP disclosed
WO-2005121085-A1 AZA-BICYCLO`3.1.0!HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-12-22 WO disclosed
US-20050272800-A1 NK1 antagonists PFIZER INC 2005-12-08 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-20050272800-A1 NK1 antagonists TACR1, TACR2, TAC3 GAA 1756/4885TSHR 1166/4885NPSR1 9/4885

“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.