SCHEMBL7220308

SCHEMBL7220308

O=C(OCc1ccccc1)N1CCCC[C@H]1c1nnc(Cc2ccccc2)o1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.49
SIGMAR1 Q99720 5/20 0.49
RYR2 Q92736 2/20 0.47
PREP P48147 2/20 0.45
AADAT Q8N5Z0 1/20 0.43
FKBP1A P62942 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL18845562 0.82 HCRTR1 (0.52) TMEM97SIGMAR1PREPAADATMEN1
SCHEMBL1061153 0.78 CPT2 (0.54) TMEM97SIGMAR1PREPAADAT
SCHEMBL4033512 0.78 TMEM97 (0.68) TMEM97SIGMAR1PREPFKBP1A
SCHEMBL10173023 0.78 HCRTR1 (0.47) TMEM97SIGMAR1PREPAADATMEN1
SCHEMBL29176554 0.78 ALDH1A1 (0.56) MEN1ALDH1A1LMNATSHRKMT2A
SCHEMBL29176551 0.78 ALDH1A1 (0.56) MEN1ALDH1A1LMNATSHRKMT2A
SCHEMBL5717223 0.78 TMEM97 (0.52) TMEM97SIGMAR1PREPAADATFKBP1A
Water SCHEMBL27700641 0.77 TMEM97 (0.67) TMEM97SIGMAR1PREPFKBP1A
SCHEMBL27207832 0.77 PKM (0.52) RYR2MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL27230216 0.77 PKM (0.52) RYR2MEN1ALDH1A1KMT2AL3MBTL1

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-6544987-B2 Pyrrolidine or piperidine sulfonyl compounds; stimulate neurite outgrowth in nerve cells leading to nerve regeneration for treatment of hair loss, memory loss or vision disorders PFIZER INC. 2003-04-08 US disclosed
EP-1237869-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2002-09-11 EP disclosed
US-20020061881-A1 Compounds, compositions, and methods for stimulating neuronal growth and elongation AGOURON PHARMACEUTICALS, INC. 2002-05-23 US disclosed
WO-2001040185-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 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-20020061881-A1 Compounds, compositions, and methods for stimulating neuronal growth and elongation NGF, GAP43, BDNF TMEM97 4169/4885SIGMAR1 4103/4885RYR2 4587/4885

“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.