SCHEMBL5650876

SCHEMBL5650876

c1ccc2cc(C3OC(CN4CCCCC4)C(CN4CCCCC4)O3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
HRH3 Q9Y5N1 6/20 0.43
ABCB1 P08183 2/20 0.42
SLC6A4 P31645 2/20 0.42
DRD2 P14416 1/20 0.42
LMNA P02545 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
UTS2R Q9UKP6 1/20 0.38

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
SCHEMBL3090416 0.74 ABCB1 (0.48) KDM4EHRH3ABCB1SLC6A4DRD2
SCHEMBL23914453 0.71 HRH3 (0.42) KDM4EHRH3SLC6A4DRD2LMNA
SCHEMBL23914273 0.71 CHRNA7 (0.42) KDM4EHRH3SLC6A4DRD2
SCHEMBL23913990 0.70 HRH3 (0.41) KDM4EHRH3SLC6A4DRD2SLC6A2
SCHEMBL10053031 0.68 SLC6A4 (0.42) KDM4ESLC6A4DRD2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL7260146 0.68 DRD2 (0.68) HRH3SLC6A4DRD2
SCHEMBL5329930 0.66 KDM4E (0.53) KDM4ESLC6A4DRD2LMNASLC6A2
SCHEMBL9809156 0.66 SLC6A4 (0.47) KDM4ESLC6A4DRD2SLC6A2SLC6A3
SCHEMBL31010303 0.65 KMT2A (0.74) HRH3
SCHEMBL5195380 0.65 KMT2A (0.74) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629268-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-01-14 US disclosed
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-21 US disclosed
WO-2007097719-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2007-08-30 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-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 KDM4E 3322/4885HRH3 4626/4885ABCB1 4274/4885

“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.