SCHEMBL7253255

SCHEMBL7253255

CC(O)Cn1ccc2ccc(Br)cc21.CS(=O)(=O)O

nearest known ligand 0.48

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 10)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 4/20 0.48
HTR2A known ✓ P28223 3/20 0.48
PRMT5 O14744 7/20 0.48
HTR7 P34969 4/20 0.47
PRMT1 Q99873 1/20 0.45
PSMB1 P20618 3/20 0.40
PSMB5 P28074 3/20 0.40
NTSR1 P30989 1/20 0.40
FGFR1 P11362 1/20 0.39
FGFR4 P22455 1/20 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
SCHEMBL7253587 0.92 HTR2C (0.55) PRMT5HTR2CHTR2AHTR7PRMT1
SCHEMBL7253589 0.92 HTR2C (0.55) PRMT5HTR2CHTR2AHTR7PRMT1
SCHEMBL7253595 0.92 HTR2C (0.55) PRMT5HTR2CHTR2AHTR7PRMT1
SCHEMBL7253257 0.80 HTR2C (0.47) PRMT5HTR2CHTR2AHTR7PRMT1
SCHEMBL7253262 0.80 HTR2C (0.47) PRMT5HTR2CHTR2AHTR7PRMT1
SCHEMBL8959574 0.80 HTR2C (0.72) PRMT5HTR2CHTR2AHTR7NTSR1
SCHEMBL8959569 0.80 HTR2C (0.72) PRMT5HTR2CHTR2AHTR7NTSR1
SCHEMBL20618352 0.80 HTR7 (0.51) PRMT5HTR2CHTR2AHTR7PRMT1
SCHEMBL24142902 0.79 HTR7 (0.63) PRMT5HTR2CHTR2AHTR7PRMT1
SCHEMBL27642179 0.78 HTR2C (0.48) PRMT5HTR2CHTR2AHTR7PRMT1

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-6635639-B2 Treatment or diagnosis of central nervous system conditions NPS ALLELIX CORP. (CA) 2003-10-21 US disclosed
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 US disclosed
US-6380242-B1 FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS NPS ALLELIX CORP. (CA) 2002-04-30 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 (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-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine CNR1, CNR2, KCNH1 HTR2C 127/4885HTR2A 425/4885PRMT5 1925/4885

“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.