SCHEMBL7214795

SCHEMBL7214795

CS(=O)(=O)OCC1CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.41
CYP19A1 P11511 6/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
PTGES O14684 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 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
SCHEMBL7214802 0.81 PNMT (0.42) GRIN2BCYP19A1ALDH1A1MEN1PTGES
SCHEMBL7214798 0.81 PNMT (0.42) GRIN2BCYP19A1ALDH1A1MEN1PTGES
SCHEMBL6976751 0.79 HTR2C (0.38) HTR2A
SCHEMBL7220825 0.79 HTR2C (0.44) CYP3A4HTR2AADRA2AADRA2BADRA2C
SCHEMBL9630429 0.78 MTNR1A (0.56)
SCHEMBL7214649 0.77 PNMT (0.48) GRIN2BDRD2HTR2AADRA2APNMT
SCHEMBL6968070 0.77 PPARD (0.41) DRD2
SCHEMBL10468997 0.76 GRIN2B (0.44) GRIN2BADRA2APNMTADRA2BADRA2C
SCHEMBL14143008 0.76 CA2 (0.45) ADRA2BADRA2C
SCHEMBL6978852 0.76 CA2 (0.45) ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552044-B2 Dopamine receptors H. LUNDBECK A/S (DK) 2003-04-22 US disclosed
EP-0946542-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2002-10-09 EP disclosed
US-6352988-B2 HIGH AFFINITY FOR D4 RECEPTORS; TREATMENT OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, DEPRESSION, ALCOHOL ABUSE, IMPULSE CONTROL DISORDERS, AGGRESSION H. LUNDBECK A/S (DK) 2002-03-05 US disclosed
US-20010021777-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-13 US disclosed
US-20010020095-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-06 US disclosed
US-6262087-B1 HAVE HIGH AFFINITY FOR D4 RECEPTORS; USEFUL IN THE TREATMENT OF CERTAIN PSYCHIATRIC AND NEUROLOGIC DISORDERS, INCLUDING PSYCHOSIS, DEPRESSION AND ANXIETY. H. LUNDBECK A/S (DK) 2001-07-17 US disclosed
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 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-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 GRIN2B 251/4885CYP19A1 474/4885PRMT5 1282/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 GRIN2B 251/4885CYP19A1 474/4885PRMT5 1282/4885

“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.