SCHEMBL30909231

SCHEMBL30909231

c1ccc2c(C3CCC4CCCCN4CC3)csc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC18A3 Q16572 1/20 0.46
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CHRNA7 P36544 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL3 Q96JM7 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ABCB1 P08183 1/20 0.39
HTR1A P08908 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
SCHEMBL18908547 0.80 SLC6A4 (0.59) DRD2SLC6A4OPRM1OPRK1CHRM4
SCHEMBL30701204 0.80 SLC6A4 (0.62) DRD2SLC6A4CHRM4CHRM2CHRM5
SCHEMBL7711151 0.79 ACVR1 (0.47) DRD2SLC6A4CYP2D6CYP2C19SLC18A3
SCHEMBL8725928 0.77 RORC (0.47) SMN1; SMN2L3MBTL3L3MBTL1HTR1A
SCHEMBL8721043 0.77 HRH3 (0.45) CYP2D6CYP2C19OPRM1OPRK1CHRM2
SCHEMBL8721240 0.77 HRH3 (0.45) DRD2SLC6A4CYP2D6CYP2C19OPRM1
SCHEMBL22252026 0.76 SLC6A4 (0.59) DRD2SLC6A4OPRM1OPRK1CHRM4
SCHEMBL8722092 0.76 CYP2D6 (0.35) DRD2SLC6A4CYP2D6CYP2C19SLC18A3
SCHEMBL11877059 0.76 SLC6A4 (0.72) DRD2SLC6A4CHRM4CHRM2CHRM5
SCHEMBL8722113 0.76 CHRM2 (0.48) DRD2SLC6A4CYP2D6CYP2C19CHRM4

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
US-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ LP (CA) 2026-05-07 US disclosed
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 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-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS HTR1F, HTR1A, HTR1D DRD2 691/4885SLC6A4 299/4885CYP2D6 2692/4885

“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.