SCHEMBL6119956

SCHEMBL6119956

O=C(CCCOCc1ccccc1)N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
HPGD P15428 3/20 0.65
TDP1 Q9NUW8 1/20 0.60
TEAD3 Q99594 2/20 0.53
ALDH1A1 P00352 3/20 0.52
NAAA Q02083 1/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GRM5 P41594 1/20 0.51
HTT P42858 1/20 0.51
PKM P14618 1/20 0.51
STAT1 P42224 1/20 0.51
RORC P51449 1/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL21322119 0.84 GRM5 (0.60) NPC1TDP1TEAD3GRM5TSHR
SCHEMBL21430557 0.81 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDTDP1
SCHEMBL4830376 0.80 GRM5 (0.71) NPC1SMN1; SMN2TDP1ALDH1A1KMT2A
SCHEMBL8599293 0.80 NPC1 (0.81) NPC1RAB9ASMN1; SMN2HPGDTDP1
SCHEMBL22875110 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDTEAD3
SCHEMBL13315137 0.78 GRM5 (0.73) NPC1SMN1; SMN2TDP1ALDH1A1KMT2A
SCHEMBL10371234 0.78 NPC1 (0.78) NPC1RAB9ASMN1; SMN2HPGDTDP1
SCHEMBL291194 0.77 SMN1; SMN2 (0.57) SMN1; SMN2TEAD3ALDH1A1HTTTSHR
SCHEMBL7376148 0.77 NPC1 (0.76) NPC1RAB9ASMN1; SMN2HPGDTDP1
SCHEMBL19423249 0.77 NAAA (0.68) NAAA

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-9187435-B2 Bridged Spiro[2.4]heptane ester derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2015-11-17 US disclosed
EP-2640699-B1 BRIDGED SPIRO[2,4]HEPTANE ESTER DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-10-07 EP disclosed
EP-2640699-A2 BRIDGED SPIRO[2.4]HEPTANE ESTER DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2013-09-25 EP disclosed
US-20130231319-A1 Bridged Spiro[2.4]heptane Ester Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-05 US disclosed
WO-2012066488-A2 BRIDGED SPIRO[2.4]HEPTANE ESTER DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-05-24 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-20130231319-A1 Bridged Spiro[2.4]heptane Ester Derivatives ADH1A, ADH1C, NAPA NPC1 3070/4885RAB9A 3923/4885SMN1; SMN2 1193/4885

“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.