SCHEMBL18488372

SCHEMBL18488372

CS(=O)(=O)O[C@@H]1CN(Cc2ccccc2)C[C@H]1CN

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
GBA1 P04062 1/20 0.41
FUCA1 P04066 2/20 0.40
DRD2 P14416 2/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
HTR2A P28223 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL20467320 1.00 PTPN1 (0.42) PTPN1GBA1FUCA1DRD2RECQL
SCHEMBL6358667 1.00 PTPN1 (0.42) PTPN1GBA1FUCA1DRD2RECQL
SCHEMBL22211568 1.00 PTPN1 (0.42) PTPN1GBA1FUCA1DRD2RECQL
SCHEMBL10522832 0.87 PTPN1 (0.48) PTPN1FUCA1DRD2RECQLSMN1; SMN2
SCHEMBL3833437 0.87 PTPN1 (0.48) PTPN1FUCA1DRD2RECQLSMN1; SMN2
SCHEMBL13379049 0.87 PTPN1 (0.48) PTPN1FUCA1DRD2RECQLSMN1; SMN2
SCHEMBL6358553 0.87 PTPN1 (0.45) PTPN1GBA1FUCA1DRD2RECQL
SCHEMBL22211395 0.86 PTPN1 (0.44) PTPN1GBA1FUCA1DRD2RECQL
SCHEMBL500407 0.86 PTPN1 (0.44) PTPN1GBA1FUCA1DRD2RECQL
SCHEMBL18453619 0.86 PTPN1 (0.44) PTPN1GBA1FUCA1DRD2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194225-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR INC. 2019-06-27 US disclosed
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators INDIVIOR UK LIMITED (GB) 2019-04-30 US disclosed
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2018-08-09 US disclosed
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2018-08-09 US disclosed
WO-2017021920-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2017-02-09 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 (3 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-20190194225-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY DRD3, DRD2, SLC6A3 PTPN1 2364/4885GBA1 2097/4885FUCA1 3798/4885
US-20180222918-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY DRD3, DRD2, SLC6A3 PTPN1 2288/4885GBA1 2257/4885FUCA1 3806/4885
US-10273244-B2 Substituted hexahydropyrrolo[3,4-b]pyrroles and hexahydrocyclopenta[c]pyrroles as dopamine receptor modulators DRD3, DRD2, OPRD1 PTPN1 643/4885GBA1 3109/4885FUCA1 4619/4885

“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.