SCHEMBL5161997

SCHEMBL5161997

Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(N)[C@@H]2c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
MMP2 P08253 2/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 3/20 0.44
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL5421196 1.00 NPSR1 (0.56) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5161999 1.00 NPSR1 (0.56) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14446208 0.85 NPSR1 (0.56) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5161180 0.81 NPSR1 (0.52) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5162595 0.81 NPSR1 (0.52) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5409593 0.81 NPSR1 (0.51) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5164026 0.81 NPSR1 (0.51) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5164018 0.81 NPSR1 (0.51) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5188024 0.81 NPSR1 (0.51) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5161971 0.80 NPSR1 (0.50) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2

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 NPSR1 9/4885MMP2 3274/4885ALDH1A1 2620/4885

“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.