SCHEMBL6542200

SCHEMBL6542200

CCCNCCC.Cc1cccc2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
DRD4 P21917 1/20 0.36
TBXA2R P21731 1/20 0.36
TSHR P16473 1/20 0.35
MITF O75030 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1321391 0.83 BCL2L1 (0.68) ALDH1A1LMNAMEN1THRATHRB
SCHEMBL30717272 0.83 BCL2L1 (0.58) ALDH1A1LMNAMEN1THRATHRB
SCHEMBL598625 0.83 BCL2L1 (0.58) ALDH1A1LMNAMEN1THRATHRB
SCHEMBL31011900 0.81 BCL2L1 (0.56) ALDH1A1LMNAMEN1THRATHRB
SCHEMBL5598514 0.81 BCL2L1 (0.56) ALDH1A1LMNAMEN1THRATHRB
SCHEMBL6542196 0.81 ALDH1A1 (0.43) ALDH1A1LMNAMEN1THRATHRB
Dimethylamine SCHEMBL6542165 0.80 BCL2L1 (0.50) ALDH1A1LMNAMEN1THRATHRB
SCHEMBL29892288 0.79 BCL2L1 (0.52) ALDH1A1LMNAMEN1THRATHRB
SCHEMBL413550 0.79 BCL2L1 (0.52) ALDH1A1LMNAMEN1THRATHRB
SCHEMBL13256427 0.76 ALDH1A1 (0.61) ALDH1A1LMNAMEN1THRATHRB

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.