SCHEMBL7222152

SCHEMBL7222152

O=C(OCCCCc1ccccc1)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPC1 O15118 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
FKBP1A P62942 3/20 0.52
HTR2A P28223 2/20 0.52
OPRM1 P35372 2/20 0.52
HTR1A P08908 1/20 0.52
DRD4 P21917 1/20 0.52
HRH1 P35367 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
SIGMAR1 Q99720 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
HTR7 P34969 1/20 0.51
LMNA P02545 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
BLM P54132 1/20 0.48
PKM P14618 1/20 0.48
STAT1 P42224 1/20 0.48

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
SCHEMBL5697159 0.88 NPC1 (0.58) ALDH1A1SMN1; SMN2NPC1TDP1HTR2A
SCHEMBL5542274 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1TDP1FKBP1A
SCHEMBL7509584 0.86 HTR2A (0.50) ALDH1A1SMN1; SMN2FKBP1AHTR2AOPRM1
SCHEMBL5538867 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1TDP1FKBP1A
SCHEMBL5536072 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1TDP1FKBP1A
SCHEMBL7515241 0.85 HTR2A (0.49) ALDH1A1SMN1; SMN2FKBP1AHTR2AOPRM1
SCHEMBL7516751 0.85 HTR2A (0.49) ALDH1A1SMN1; SMN2FKBP1AHTR2AOPRM1
SCHEMBL5546208 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1TDP1FKBP1A
SCHEMBL7330398 0.82 HRH3 (0.60) ALDH1A1SMN1; SMN2NPC1HTR2AOPRM1
SCHEMBL7509167 0.81 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2NPC1HTR2AOPRM1

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 ALDH1A1 3381/4885SMN1; SMN2 17/4885NPC1 4125/4885

“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.