SCHEMBL6691772

SCHEMBL6691772

O=C(Oc1ccccc1)N1CCC[C@]1(CO)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.45
CYP3A4 P08684 12/20 0.44
CYP2D6 P10635 8/20 0.44
ALDH1A1 P00352 4/20 0.44
USP2 O75604 7/20 0.44
CYP1A2 P05177 6/20 0.44
CYP2C9 P11712 5/20 0.44
CYP2C19 P33261 4/20 0.44
MAPK1 P28482 4/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
ALOX15 P16050 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL6691770 0.81
SCHEMBL5491001 0.78 NPC1 (0.42) TSHRCYP3A4CYP2D6ALDH1A1USP2
SCHEMBL8049780 0.76 HCRTR1 (0.46) ALDH1A1USP2
SCHEMBL9734007 0.73
SCHEMBL9734009 0.73
SCHEMBL15392534 0.73
SCHEMBL19614453 0.72 GRIN2B (0.39) USP2SMN1; SMN2HPGD
SCHEMBL19614479 0.72 GRIN2B (0.39) USP2SMN1; SMN2HPGD
SCHEMBL15924562 0.72 GRIN2B (0.39) USP2SMN1; SMN2HPGD
SCHEMBL14673362 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198722-A1 Collections of compounds SPIROGEN LIMITED (GB) 2004-10-07 US disclosed
US-6747144-B1 TREATING NEOPLASTIC DISEASES, ALZHEIMER'S DISEASE, BACTERIAL INFECTIONS, PARASITIC INFECTIONS OR VIRAL INFECTIONS SPIROGEN LIMITED (GB) 2004-06-08 US disclosed
EP-1107970-A2 COLLECTIONS OF COMPOUNDS Spirogen Limited (GB) 2001-06-20 EP disclosed
WO-2000012509-A2 COLLECTIONS OF COMPOUNDS SPIROGEN LIMITED (GB) 2000-03-09 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-20040198722-A1 Collections of compounds CBR3, H1-3, H1-0 TSHR 364/4885CYP3A4 3091/4885CYP2D6 2013/4885

“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.