SCHEMBL23780653

SCHEMBL23780653

CNC1Cc2ccccc2C(c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 1.00
CYP2D6 P10635 4/20 0.68
SLC6A2 P23975 4/20 0.68
SLC6A4 P31645 4/20 0.68
SLC6A3 Q01959 4/20 0.68
KCNH2 Q12809 3/20 0.68
CYP2C19 P33261 3/20 0.68
CYP3A4 P08684 2/20 0.68
MTNR1A P48039 1/20 0.62
MTNR1B P49286 1/20 0.62
MEN1 O00255 1/20 0.62
CYP1A2 P05177 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 1/20 0.62
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
HTR2B P41595 2/20 0.58
HRH3 Q9Y5N1 2/20 0.58

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
SCHEMBL29462272 1.00 SIGMAR1 (1.00) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL13862057 1.00 SIGMAR1 (1.00) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL815202 0.81 SLC6A2 (1.00) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL814759 0.81 SLC6A2 (1.00) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL815021 0.81 SLC6A2 (1.00) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL814198 0.81 SLC6A2 (1.00) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL815201 0.81 SLC6A2 (1.00) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL53985 0.80 CYP2C19 (0.74) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9731285 0.78 SIGMAR1 (0.68) SIGMAR1CYP2C19CYP3A4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9732394 0.77 SIGMAR1 (0.67) SIGMAR1CYP2C19CYP3A4MTNR1AMTNR1B

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
WO-2025151884-A1 USE OF GLYCOSAMINOGLYCAN SULFATED POLYSACCHARIDES SUCH AS SODIUM PENTOSAN POLYSULFATE IN COMBINATION WITH PERMEATION AGENTS TO TREAT ALZHEIMER'S DISEASE PARSONS C LOWELL (US) 2025-07-17 WO claimed
US-20260144842-A1 PHARMACEUTICAL COMPOSITION COMPRISING TRYPTOPHAN AND PHYLLOKININ DERIVATIVE FOR USE IN TREATING PSYCHIATRIC AND PSYCHOLOGICAL CONDITIONS TEMPLE OTORONGO LLC (US) 2026-05-28 US disclosed
WO-2025151884-A1 USE OF GLYCOSAMINOGLYCAN SULFATED POLYSACCHARIDES SUCH AS SODIUM PENTOSAN POLYSULFATE IN COMBINATION WITH PERMEATION AGENTS TO TREAT ALZHEIMER'S DISEASE PARSONS C LOWELL (US) 2025-07-17 WO disclosed
US-11723945-B2 Pharmaceutical composition comprising tryptophan and phyllokinin derivative for use in treating psychiatric and psychological conditions TEMPLE OTORONGO LLC (US) 2023-08-15 US disclosed
US-20210275623-A1 PHARMACEUTICAL COMPOSITION COMPRISING TRYPTOPHAN AND PHYLLOKININ DERIVATIVE FOR USE IN TREATING PSYCHIATRIC AND PSYCHOLOGICAL CONDITIONS TEMPLE OTORONGO LLC (US) 2021-09-09 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 (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-20260144842-A1 PHARMACEUTICAL COMPOSITION COMPRISING TRYPTOPHAN AND PHYLLOKININ DERIVATIVE FOR USE IN TREATING PSYCHIATRIC AND PSYCHOLOGICAL CONDITIONS OPRK1, TPH1, HTR3C SIGMAR1 200/4885CYP2D6 591/4885SLC6A2 128/4885
US-20210275623-A1 PHARMACEUTICAL COMPOSITION COMPRISING TRYPTOPHAN AND PHYLLOKININ DERIVATIVE FOR USE IN TREATING PSYCHIATRIC AND PSYCHOLOGICAL CONDITIONS TPH1, TPH2, SYMPK SIGMAR1 978/4885CYP2D6 1606/4885SLC6A2 276/4885
US-11723945-B2 Pharmaceutical composition comprising tryptophan and phyllokinin derivative for use in treating psychiatric and psychological conditions TPH1, TPH2, SYMPK SIGMAR1 978/4885CYP2D6 1606/4885SLC6A2 276/4885

“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.