SCHEMBL23622707

SCHEMBL23622707

CN[C@@H]1C=C(C(=O)OC)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 0.36
CHRM3 P20309 2/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
EPHX2 P34913 1/20 0.34
CYP2C19 P33261 2/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
THRB P10828 1/20 0.33
CHRM1 P11229 1/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL23622744 1.00 OAT (0.36) OATCHRM3NPC1SMN1; SMN2ALDH1A1
SCHEMBL23622730 1.00 OAT (0.36) OATCHRM3NPC1SMN1; SMN2ALDH1A1
SCHEMBL23622826 0.84 RAB9A (0.40) NPC1SMN1; SMN2ALDH1A1CYP2C19LMNA
SCHEMBL23622728 0.84 RAB9A (0.40) NPC1SMN1; SMN2ALDH1A1CYP2C19LMNA
SCHEMBL23622822 0.84 RAB9A (0.40) NPC1SMN1; SMN2ALDH1A1CYP2C19LMNA
SCHEMBL23622816 0.82 OAT (0.55) OATNPC1ALDH1A1LMNARAB9A
SCHEMBL23622729 0.82 OAT (0.55) OATNPC1ALDH1A1LMNARAB9A
SCHEMBL23622821 0.82 OAT (0.55) OATNPC1ALDH1A1LMNARAB9A
SCHEMBL17264143 0.79 OAT (0.38) OATCHRM3NPC1SMN1; SMN2ALDH1A1
SCHEMBL23142323 0.77 OAT (0.62) OATCHRM3NPC1SMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206714-A1 COMPOSITIONS AND METHODS FOR REDUCING TACTILE DYSFUNCTION, ANXIETY, AND SOCIAL IMPAIRMENT PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-07-08 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-20210206714-A1 COMPOSITIONS AND METHODS FOR REDUCING TACTILE DYSFUNCTION, ANXIETY, AND SOCIAL IMPAIRMENT PMP22, GABBR1, GABBR2 OAT 421/4885CHRM3 2196/4885NPC1 2928/4885

“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.