SCHEMBL5161114

SCHEMBL5161114

COC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 2/20 0.48
GAA P10253 1/20 0.48
MMP2 P08253 5/20 0.48
MAPT P10636 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ANPEP P15144 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4939764 0.89 TSHR (0.57) LMNANPSR1L3MBTL1TSHRGAA
SCHEMBL23775984 0.89 TSHR (0.57) LMNANPSR1L3MBTL1TSHRGAA
SCHEMBL5163665 0.89 TSHR (0.57) LMNANPSR1L3MBTL1TSHRGAA
SCHEMBL23775902 0.89 NPSR1 (0.49) LMNANPSR1L3MBTL1TSHRGAA
SCHEMBL23757665 0.88 CRHBP (0.58) NPSR1L3MBTL1TSHRGAAMMP2
SCHEMBL23757987 0.88 CRHBP (0.58) NPSR1L3MBTL1TSHRGAAMMP2
SCHEMBL23757669 0.88 CRHBP (0.58) NPSR1L3MBTL1TSHRGAAMMP2
SCHEMBL25491398 0.86 NPSR1 (0.53) LMNANPSR1L3MBTL1TSHRGAA
SCHEMBL25491394 0.84 NPSR1 (0.47) LMNANPSR1L3MBTL1TSHRGAA
SCHEMBL23776239 0.84 TSHR (0.52) LMNANPSR1L3MBTL1TSHRGAA

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
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 LMNA 3937/4885NPSR1 9/4885L3MBTL1 2933/4885

“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.