SCHEMBL6400640

SCHEMBL6400640

CC1(C)C(=O)C(C)(C)c2cc(CCCN3CCN(c4nsc5ccccc45)CC3)ccc21.CS(=O)(=O)O

nearest known ligand 0.62

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 6)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 6/20 0.52
HTR2A known ✓ P28223 6/20 0.52
HTR1A known ✓ P08908 3/20 0.52
HTR7 P34969 6/20 0.52
HTR6 P50406 5/20 0.52
KCNH2 Q12809 1/20 0.51

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
SCHEMBL6401515 0.95 HTR1A (0.56) HTR7DRD2HTR2AHTR6HTR1A
SCHEMBL5738492 0.89 HTR1A (0.64) HTR7DRD2HTR2AHTR1AKCNH2
SCHEMBL6404304 0.87 DRD2 (0.52) HTR7DRD2HTR2AHTR6HTR1A
SCHEMBL6401030 0.83 HTR7 (0.52) HTR7DRD2HTR2AHTR6
SCHEMBL6404306 0.82 DRD2 (0.52) HTR7DRD2HTR2AHTR6HTR1A
SCHEMBL6399597 0.81 HTR1A (0.56) HTR7DRD2HTR2AHTR1AKCNH2
SCHEMBL6397593 0.81 HTR1A (0.56) HTR7DRD2HTR2AHTR1AKCNH2
SCHEMBL6221565 0.80 HTR2A (0.50) HTR7DRD2HTR2AHTR6HTR1A
SCHEMBL5740933 0.80 HTR2A (0.38) HTR7DRD2HTR2AHTR6HTR1A
SCHEMBL6399114 0.80 HTR1A (0.64) HTR7DRD2HTR2AHTR1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia GRAHAM JAMES M 2005-12-22 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-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia CHRM1, CHRM2, CHRM5 DRD2 9/4885HTR2A 195/4885HTR1A 61/4885

“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.