SCHEMBL21164273

SCHEMBL21164273

CCC(CC)c1cnn(C)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.33
OPRM1 P35372 1/20 0.32
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL19003524 0.88 IDO1 (0.31) ALDH1A1HTTSMN1; SMN2L3MBTL1IDO1
SCHEMBL26771643 0.85 NR1I2 (0.36) ALDH1A1HTTSMN1; SMN2L3MBTL1NPC1
SCHEMBL25718332 0.83 IDO1 (0.32) ALDH1A1HTTSMN1; SMN2L3MBTL1IDO1
SCHEMBL15304182 0.81 ALDH1A1 (0.36) ALDH1A1HTTSMN1; SMN2L3MBTL1IDO1
SCHEMBL24919732 0.81 ALDH1A1 (0.36) ALDH1A1HTTSMN1; SMN2L3MBTL1IDO1
SCHEMBL17018452 0.79 SLC6A4 (0.37) ALDH1A1HTTSMN1; SMN2L3MBTL1IDO1
SCHEMBL3466744 0.79 SLC6A4 (0.37) ALDH1A1HTTSMN1; SMN2L3MBTL1IDO1
Hydrochloric Acid SCHEMBL27164845 0.78 SLC6A4 (0.36) ALDH1A1HTTSMN1; SMN2L3MBTL1IDO1
SCHEMBL18948523 0.77 NR1I2 (0.36) ALDH1A1HTTSMN1; SMN2L3MBTL1OPRM1
SCHEMBL23172210 0.77 NR1I2 (0.36) ALDH1A1HTTSMN1; SMN2L3MBTL1OPRM1

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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ALDH1A1 433/4885HTT 322/4885SMN1; SMN2 3998/4885

“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.