SCHEMBL6696529

SCHEMBL6696529

O=C(O)C1CCCN(CCC=C2c3ccccc3CCc3ccccc32)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 7/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL3063792 1.00 SLC6A1 (0.60) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL5498837 1.00 SLC6A1 (0.60) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6956415 0.99 ALDH1A1 (0.60) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL8196337 0.99 ALDH1A1 (0.60) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL8936308 0.91 SLC6A1 (0.51) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7605820 0.91 SLC6A1 (0.52) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7605253 0.91 SLC6A1 (0.65) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7609305 0.91 SLC6A1 (0.65) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7604278 0.91 SLC6A1 (0.65) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7609301 0.91 SLC6A1 (0.65) SLC6A1ALDH1A1LMNACYP1A2CYP2D6

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
US-20070066570-A1 Methods for treating sleep disorders HYPNION, INC. 2007-03-22 US disclosed
US-20070066570-A1 Methods for treating sleep disorders HYPNION, INC. 2007-03-22 US disclosed
WO-2004112705-A2 METHODS FOR TREATING SLEEP DISORDERS HYPNION, INC. (US) 2004-12-29 WO disclosed
EP-1140084-A1 NOVEL FORMULATION NOVO NORDISK A/S (DK) 2001-10-10 EP disclosed
WO-2000037081-A1 NOVEL FORMULATION NOVO NORDISK A/S (DK) 2000-06-29 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-20070066570-A1 Methods for treating sleep disorders HCRTR2, HNMT, HCRTR1 SLC6A1 100/4885ALDH1A1 1567/4885LMNA 1590/4885

“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.