SCHEMBL4370075

SCHEMBL4370075

Cc1ccc(OCCN)c(C)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 10/20 0.57
KDM4E B2RXH2 1/20 0.45
HTR1B P28222 1/20 0.42
RAB9A P51151 3/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
AURKA O14965 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
Hydrochloric Acid SCHEMBL1623536 0.98 S1PR4 (0.55) S1PR4KDM4EHTR1BRAB9ANPC1
SCHEMBL13947096 0.82 S1PR4 (0.58) S1PR4KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL23600775 0.81 S1PR4 (0.57) S1PR4KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2127198 0.81 S1PR4 (0.57) S1PR4KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3933432 0.80 S1PR4 (0.46) S1PR4RAB9ANPC1SMN1; SMN2
SCHEMBL14173619 0.78 S1PR4 (0.54) S1PR4KDM4EHTR1BCYP2C19
SCHEMBL14290550 0.78 S1PR4 (0.53) S1PR4KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL17815734 0.75 S1PR4 (0.55) S1PR4KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL29444437 0.74 S1PR4 (0.50) S1PR4KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL20124609 0.74 S1PR4 (0.50) S1PR4KDM4ERAB9ANPC1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291983-A1 3-Oxoisoindoline-1-Carboxamide Derivatives as Analgesic Agents ASTRAZENECA AB (SE) 2009-11-26 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-20090291983-A1 3-Oxoisoindoline-1-Carboxamide Derivatives as Analgesic Agents OPRD1, OPRK1, OPRM1 S1PR4 2280/4885KDM4E 2133/4885HTR1B 112/4885

“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.