SCHEMBL4736607

SCHEMBL4736607

O=C(NC1CC1)c1ccc(-c2cc3c(c(C(=O)O)c2)OCCO3)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
P2RX7 Q99572 1/20 0.41
HTT P42858 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
SLC6A12 P48065 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
EIF4E P06730 1/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
DRD3 P35462 2/20 0.39
PDE4D Q08499 1/20 0.38
POLB P06746 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TTK P33981 2/20 0.38
MEN1 O00255 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
SCHEMBL4640340 0.85 PLK1 (0.43) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4733746 0.83 NPC1 (0.39) HPGDNPC1RAB9AHTTPDE4A
SCHEMBL4736919 0.83 POLB (0.42) HPGDNPC1RAB9ASMN1; SMN2POLB
SCHEMBL4738875 0.83 NPC1 (0.39) HPGDNPC1RAB9ASMN1; SMN2POLB
SCHEMBL4736986 0.82 MKNK1 (0.43) HPGDNPC1RAB9ASMN1; SMN2POLB
SCHEMBL4737978 0.79 PDK2 (0.40) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4737918 0.78 RPA1 (0.45) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4734312 0.77 NPC1 (0.53) HPGDNPC1RAB9AHTTSMN1; SMN2
SCHEMBL4734000 0.77 TSHR (0.47) HPGDNPC1RAB9AHTTPDE4B
SCHEMBL4736163 0.76 NPC1 (0.46) HPGDNPC1RAB9AHTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 HPGD 2641/4885NPC1 2801/4885RAB9A 2622/4885

“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.