SCHEMBL7220830

SCHEMBL7220830

CS(=O)(=O)O.OCC1CCc2ccc(Cl)cc21

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 5/20 0.45
HTR2C known ✓ P28335 5/20 0.45
MAOB known ✓ P27338 2/20 0.39
HTR1A known ✓ P08908 1/20 0.39
ADRA2A known ✓ P08913 1/20 0.39
ADRA2B known ✓ P18089 1/20 0.39
ADRA2C known ✓ P18825 1/20 0.39
SLC6A2 known ✓ P23975 1/20 0.39
SLC6A4 known ✓ P31645 1/20 0.39
HTR2B P41595 5/20 0.45
MTNR1A P48039 8/20 0.40
KDM4C Q9H3R0 1/20 0.40
NQO2 P16083 6/20 0.40
MTNR1B P49286 6/20 0.40
MAOA P21397 2/20 0.39
ADRB1 P08588 1/20 0.39
CNR1 P21554 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
TRPM5 Q9NZQ8 2/20 0.39

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
SCHEMBL29434749 0.89 HTR2C (0.49) HTR2AHTR2CHTR2BKDM4CMAOA
SCHEMBL20187509 0.89 HTR2C (0.49) HTR2AHTR2CHTR2BKDM4CMAOA
SCHEMBL6976757 0.83 MTNR1A (0.40) HTR2AHTR2CHTR2BMTNR1ANQO2
SCHEMBL6968064 0.80 PPARD (0.41) MTNR1ANQO2MTNR1BMAOAMAOB
SCHEMBL6978860 0.79 MAOA (0.56) MTNR1AMTNR1BMAOAMAOBADRA2B
SCHEMBL7220825 0.79 HTR2C (0.44) HTR2AHTR2CHTR2BMTNR1AKDM4C
SCHEMBL7214802 0.79 PNMT (0.42) HTR2AADRA2AADRA2BADRA2C
SCHEMBL7214798 0.79 PNMT (0.42) HTR2AADRA2AADRA2BADRA2C
SCHEMBL23376860 0.77 HTR2C (0.65) HTR2AHTR2CHTR2BMTNR1AKDM4C
SCHEMBL4704580 0.77 ESR1 (0.49) HTR2AHTR2CHTR2BKDM4CADRA2A

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-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

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 HTR2A 32/4885HTR2C 9/4885MAOB 657/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 HTR2A 32/4885HTR2C 9/4885MAOB 657/4885

“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.