SCHEMBL8049667

SCHEMBL8049667

COc1cccc([C@@H]2CCNC2)c1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.82
EED O75530 1/20 0.52
PDE4B Q07343 1/20 0.52
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR1E P28566 1/20 0.51
HTR7 P34969 1/20 0.51
HTR2B P41595 1/20 0.51
HTR3A P46098 1/20 0.51
HTR5A P47898 1/20 0.51
HTR6 P50406 1/20 0.51
DRD2 P14416 3/20 0.50
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL1810242 1.00 HTR2C (0.82) HTR2CEEDPDE4BHTR1AHTR1D
SCHEMBL8032211 1.00 HTR2C (0.82) HTR2CEEDPDE4BHTR1AHTR1D
Hydrochloric Acid SCHEMBL4573066 0.98 HTR2C (0.82) HTR2CEEDPDE4BHTR1AHTR1D
SCHEMBL3037448 0.92 HTR2C (0.69) HTR2CEEDHTR2ADRD2DRD3
SCHEMBL567956 0.92 HTR2C (0.69) HTR2CEEDHTR2ADRD2DRD3
SCHEMBL2863498 0.92 HTR2C (0.69) HTR2CEEDHTR2ADRD2DRD3
SCHEMBL11258120 0.91 HTR2C (0.68) HTR2CEEDPDE4BHTR2ADRD2
Hydrochloric Acid SCHEMBL567518 0.91 HTR2C (0.70) HTR2CEEDHTR2ADRD2DRD3
SCHEMBL1092061 0.90 HTR2C (1.00) HTR2CHTR1ADRD2ADRA1A
Hydrochloric Acid SCHEMBL4892036 0.89 HTR2C (1.00) HTR2CHTR2AHTR2BDRD2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) 2021-01-28 US disclosed
US-6133275-A ALPHA 1 ADRENORECEPTOR ANTAGONISTS; TREATING BENIGN PROSTATIC HYPERPLASIA AND OTHER UROLOGICAL DISEASES E.G., BLADDER OUTLET OBSTRUCTION), NEUROGENIC BLADDER AND GYNECOLOGICAL SYNDROMES, E.G., DYSMENORRHEA; UTERINE MUSCLE RELAXANTS ABBOTT LABORATORIES (US) 2000-10-17 US disclosed
WO-1999057122-A1 3-PHENYLPYRROLE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1999-11-11 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-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF PRLHR, DRD2, AVPR2 HTR2C 25/4885EED 4397/4885PDE4B 616/4885

“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.