SCHEMBL22414037

SCHEMBL22414037

Cn1cc(CCC(=O)OCC2CCNCC2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.63
HSD17B10 Q99714 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 2/20 0.45
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
HTR4 Q13639 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL23677879 0.89 SLC6A4 (0.67) SLC6A4HSD17B10SMN1; SMN2USP2TP53
SCHEMBL7294320 0.82 HTR4 (0.62) SLC6A4NPSR1ALDH1A1KMT2ACYP1A2
SCHEMBL18413857 0.82 SLC6A4 (0.56) SLC6A4HSD17B10SMN1; SMN2USP2KDM4E
SCHEMBL24445505 0.81 HSD17B10 (0.56) SLC6A4HSD17B10SMN1; SMN2USP2TP53
SCHEMBL18395931 0.81 SLC6A4 (0.55) SLC6A4HSD17B10SMN1; SMN2USP2KDM4E
SCHEMBL20149705 0.81 SLC6A4 (0.55) SLC6A4HSD17B10SMN1; SMN2USP2KDM4E
Hydrochloric Acid SCHEMBL18395437 0.80 SLC6A4 (0.56) SLC6A4HSD17B10SMN1; SMN2USP2KDM4E
SCHEMBL18413804 0.79 HSD17B10 (0.59) HSD17B10SMN1; SMN2USP2TP53KDM4E
Sulfuric Acid SCHEMBL22393226 0.78 SLC6A4 (0.51) SLC6A4HSD17B10SMN1; SMN2USP2KDM4E
Sulfuric Acid SCHEMBL22393227 0.78 SLC6A4 (0.51) SLC6A4HSD17B10SMN1; SMN2USP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3324958-B1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA INC (US) 2021-07-28 EP disclosed
US-20200283385-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA, INC. 2020-09-10 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-20200283385-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN IDO1, IDO2, INMT SLC6A4 21/4885HSD17B10 2226/4885SMN1; SMN2 3681/4885

“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.