SCHEMBL22748895

SCHEMBL22748895

NCCCCN1c2ccccc2CCc2ccc(Cl)cc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.68
CYP3A4 P08684 4/20 0.68
SLC6A2 P23975 4/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
SLC22A1 O15245 3/20 0.68
CHRM2 P08172 3/20 0.68
CYP2D6 P10635 3/20 0.68
CHRM1 P11229 3/20 0.68
DRD2 P14416 3/20 0.68
ADRA2B P18089 3/20 0.68
ADRA2C P18825 3/20 0.68
CHRM3 P20309 3/20 0.68
HTR2C P28335 3/20 0.68
SLC6A4 P31645 3/20 0.68
ADRA1A P35348 3/20 0.68
HRH1 P35367 3/20 0.68
DRD3 P35462 3/20 0.68
OPRK1 P41145 3/20 0.68
HTR2B P41595 3/20 0.68

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
SCHEMBL29485897 1.00 HTR2A (0.68) HTR2ACYP3A4SLC6A2MEN1KMT2A
SCHEMBL22767581 0.99 HTR2A (0.67) HTR2ACYP3A4SLC6A2MEN1KMT2A
SCHEMBL29485883 0.99 HTR2A (0.67) HTR2ACYP3A4SLC6A2MEN1KMT2A
SCHEMBL14707047 0.96 HTR2A (0.74) HTR2ACYP3A4SLC6A2MEN1KMT2A
SCHEMBL29485936 0.96 HTR2A (0.74) HTR2ACYP3A4SLC6A2MEN1KMT2A
Hydrochloric Acid SCHEMBL14698744 0.94 HTR2A (0.72) HTR2ACYP3A4SLC6A2MEN1KMT2A
SCHEMBL4669145 0.90 CYP3A4 (0.65) HTR2ACYP3A4SLC6A2MEN1KMT2A
Hydrochloric Acid SCHEMBL14698925 0.89 MEN1 (0.66) HTR2ACYP3A4SLC6A2MEN1KMT2A
SCHEMBL15908350 0.87 HTR2A (0.74) HTR2ACYP3A4SLC6A2MEN1KMT2A
SCHEMBL17390908 0.87 HTR2A (0.89) HTR2ACYP3A4SLC6A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12403144-B2 HECT E3 ligase inhibitors and uses thereof IFOM —FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2025-09-02 US disclosed
EP-3976185-B1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM ST FONDAZIONE DI ONCOLOGIA MOLECOLARE ETS (IT) 2024-02-14 EP disclosed
US-20220339163-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2022-10-27 US disclosed
EP-3976185-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - Fondazione Istituto FIRC di Oncologia Molecolare (IT) 2022-04-06 EP disclosed
WO-2020245213-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2020-12-10 WO disclosed
WO-2020245213-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2020-12-10 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 (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-20220339163-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF NEDD4, ITCH, UBE3A HTR2A 3617/4885CYP3A4 4217/4885SLC6A2 2756/4885
US-12403144-B2 HECT E3 ligase inhibitors and uses thereof NEDD4, ITCH, UBE3A HTR2A 3617/4885CYP3A4 4217/4885SLC6A2 2756/4885

“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.