SCHEMBL21996394

SCHEMBL21996394

CN1CCn2c3c(c4cccc1c42)CN(C(=O)OCc1ccccc1)CC3

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.57
SIGMAR1 Q99720 5/20 0.57
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC10 Q969S8 1/20 0.52
CXCR3 P49682 1/20 0.46
PTGDR2 Q9Y5Y4 11/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL29984651 0.87 TMEM97 (0.56) TMEM97SIGMAR1HDAC1HDAC6HDAC10
SCHEMBL21996420 0.87 TMEM97 (0.56) TMEM97SIGMAR1HDAC1HDAC6HDAC10
SCHEMBL22054667 0.83 ENPP2 (0.44) CXCR3PTGDR2KMT2A
SCHEMBL22055341 0.78 HDAC1 (0.46) TMEM97SIGMAR1HDAC1HDAC6HDAC10
SCHEMBL22054358 0.75 ADRA2A (0.61) SIGMAR1HDAC1HDAC6
SCHEMBL23949707 0.74 TMEM97 (0.57) TMEM97SIGMAR1HDAC1HDAC6PTGDR2
SCHEMBL6485348 0.74 MEN1 (0.49) TMEM97SIGMAR1HDAC1HDAC6PTGDR2
SCHEMBL6483674 0.74 SMN1; SMN2 (0.48) TMEM97SIGMAR1HDAC1HDAC6HDAC10
SCHEMBL13011574 0.74 HDAC1 (0.61) TMEM97SIGMAR1HDAC1HDAC6HDAC10
SCHEMBL22054663 0.73 PTGDR2 (0.57) TMEM97SIGMAR1HDAC1HDAC6HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024924-A1 SOLID STATE FORMS OF LUMATEPERONE SALTS AND PROCESSES FOR PREPARATION OF LUMATEPERONE AND SALTS THEREOF ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2022-01-27 US disclosed
EP-3887374-A2 SOLID STATE FORMS OF LUMATEPERONE SALTS AND PROCESSES FOR PREPARATION OF LUMATEPERONE AND SALTS THEREOF Teva Pharmaceuticals International GmbH (CH) 2021-10-06 EP disclosed
WO-2020112941-A2 SOLID STATE FORMS OF LUMATEPERONE SALTS AND PROCESSES FOR PREPARATION OF LUMATEPERONE AND SALTS THEREOF TEVA CZECH INDUSTRIES S.R.O (CZ) 2020-06-04 WO disclosed
WO-2020112941-A2 SOLID STATE FORMS OF LUMATEPERONE SALTS AND PROCESSES FOR PREPARATION OF LUMATEPERONE AND SALTS THEREOF TEVA CZECH INDUSTRIES S.R.O (CZ) 2020-06-04 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 (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-20220024924-A1 SOLID STATE FORMS OF LUMATEPERONE SALTS AND PROCESSES FOR PREPARATION OF LUMATEPERONE AND SALTS THEREOF RALA, TACR1, SRM TMEM97 302/4885SIGMAR1 691/4885HDAC1 4810/4885

“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.