SCHEMBL30849006

SCHEMBL30849006

c1ccc2c(c1)OCC1CNCCCC21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
EED O75530 1/20 0.38
HTR2B P41595 1/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
SSTR4 P31391 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL8528971 0.91 DRD2 (0.44) DRD2DRD3HTR2BSSTR4LTB4R
Hydrochloric Acid SCHEMBL29960332 0.89 DRD2 (0.43) DRD2DRD3SSTR4LTB4RLTB4R2
Hydrochloric Acid SCHEMBL29960168 0.89 DRD2 (0.43) DRD2DRD3SSTR4LTB4RLTB4R2
SCHEMBL29960407 0.88 DRD2 (0.43) DRD2DRD3EEDHTR2BKDM1A
Hydrochloric Acid SCHEMBL29960656 0.87 DRD2 (0.42) DRD2DRD3EEDHTR2BKDM1A
SCHEMBL7847793 0.82 DRD2 (0.48) DRD2DRD3HTR2BSSTR4LTB4R
SCHEMBL7846708 0.82 DRD2 (0.48) DRD2DRD3HTR2BSSTR4LTB4R
SCHEMBL6245152 0.82 DRD2 (0.48) DRD2DRD3HTR2BSSTR4LTB4R
SCHEMBL29960480 0.82 DRD2 (0.48) DRD2DRD3HTR2BSSTR4LTB4R
SCHEMBL7846711 0.82 DRD2 (0.48) DRD2DRD3HTR2BSSTR4LTB4R

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-20240294487-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2024-09-05 US disclosed
US-11945789-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-04-02 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 (2 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-11945789-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof XBP1, DDIT3, ERN1 DRD2 4806/4885DRD3 4657/4885EED 3158/4885
US-20240294487-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF XBP1, DDIT3, ERN1 DRD2 4806/4885DRD3 4657/4885EED 3158/4885

“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.