SCHEMBL6542196

SCHEMBL6542196

CC(C)c1cccc2c1CCCC2.CCCNCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
PSMB5 P28074 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
RRM1 P23921 1/20 0.33

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
SCHEMBL18540425 0.85 BCL2L1 (0.50) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL31011949 0.84 BCL2L1 (0.48) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL21893442 0.82 BCL2L1 (0.45) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL6542200 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL1321391 0.78 BCL2L1 (0.68) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL24469462 0.72 BCL2L1 (0.47) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL20510102 0.72 BCL2L1 (0.47) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL19682344 0.72 BCL2L1 (0.47) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL17154225 0.72 BCL2L1 (0.52) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL13256427 0.71 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2ATHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1052982-A4 AMINOTETRALINS AS 5-HT 1D$g(a)? AGONISTS LILLY CO ELI (US) 2004-10-06 EP disclosed
US-20020065312-A1 Aminotetralins as 5-HT1Dalpha agonists SCHAUS JOHN M (US) 2002-05-30 US disclosed
US-6355674-B1 PSYCHOLOGICAL DISORDERS; ANTISEROTONINE AGENTS ELI LILLY AND COMPANY 2002-03-12 US disclosed
EP-1052982-A1 AMINOTETRALINS AS 5-HT 1D$g(a)? AGONISTS ELI LILLY AND COMPANY (US) 2000-11-22 EP disclosed
WO-1998048786-A1 AMINOTETRALINS AS 5-HT1Dα AGONISTS ELI LILLY AND COMPANY (US) 1998-11-05 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-20020065312-A1 Aminotetralins as 5-HT1Dalpha agonists HTR1D, HTR1A, HTR1E ALDH1A1 909/4885LMNA 4576/4885MEN1 2015/4885

“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.