SCHEMBL5101571

SCHEMBL5101571

O=C(O)CCCC1OCCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
TSHR P16473 3/20 0.40
PMP22 Q01453 2/20 0.40
NFKB1 P19838 2/20 0.40
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CAMK2A Q9UQM7 1/20 0.37
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
GABRR3 A8MPY1 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
HDAC3 O15379 1/20 0.36
GABBR2 O75899 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL10334572 0.91 LMNA (0.46) LMNASLC22A6TSHRPMP22NFKB1
SCHEMBL12723334 0.86 ALDH1A1 (0.42) LMNASLC22A6TSHRPMP22NFKB1
SCHEMBL5668522 0.84 LMNA (0.50) LMNASLC22A6TSHRPMP22NFKB1
SCHEMBL18979778 0.84 SLC22A6 (0.41) LMNASLC22A6TSHRPMP22NFKB1
SCHEMBL18979822 0.83 KMT2A (0.46) LMNASLC22A6TSHRPMP22NFKB1
SCHEMBL7370496 0.83 TSHR (0.52) LMNASLC22A6TSHRPMP22NFKB1
SCHEMBL3756234 0.83 TSHR (0.52) LMNASLC22A6TSHRPMP22NFKB1
SCHEMBL19783687 0.83 TSHR (0.52) LMNASLC22A6TSHRPMP22NFKB1
SCHEMBL28851236 0.82 PTPN7 (0.50) LMNATSHRPMP22NFKB1ALDH1A1
SCHEMBL18979819 0.79 ALDH1A1 (0.41) LMNAALDH1A1CYP1A2MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429579-B2 Tetrahydrobenzazepine derivatives useful as modulators of dopamine D3 receptors (antipsychotic agents) SMITHKLINE BEECHAM, PLC (GB) 2008-09-30 US disclosed
US-20040171606-A1 Tetrahydrobenzazepine derivatives useful as modulators of dopamine d3 receptors (antipsychotic agents) SMITHKLINE BEECHAM PLC (GB) 2004-09-02 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-20040171606-A1 Tetrahydrobenzazepine derivatives useful as modulators of dopamine d3 receptors (antipsychotic agents) DRD3, DRD2, DRD1 LMNA 4651/4885SLC22A6 1922/4885TSHR 115/4885

“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.