SCHEMBL4283681

SCHEMBL4283681

O=C(NC1CCCC1)c1cc[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
NPC1 O15118 10/20 0.48
RAB9A P51151 10/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
S1PR1 P21453 1/20 0.46
MLLT1 Q03111 1/20 0.46
HSD11B1 P28845 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1876540 0.98 HPGD (0.51) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4440234 0.98 HPGD (0.51) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4705235 0.97 GRM5 (0.48) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5592779 0.93 MAPK8 (0.44) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30332358 0.87 HSD11B1 (0.47) HPGDNPC1RAB9AALDH1A1HSD11B1
SCHEMBL3937594 0.87 SMYD3 (0.52)
SCHEMBL15416709 0.86 CNR2 (0.46) NPC1RAB9A
Hydrochloric Acid SCHEMBL30675640 0.86 SMYD3 (0.53)
Hydrochloric Acid SCHEMBL30675644 0.86 SMYD3 (0.53)
SCHEMBL8226069 0.83 SIGMAR1 (0.44) ALDH1A1L3MBTL1HSD11B1

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1622876-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-02-08 EP disclosed
WO-2004099157-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-18 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP HPGD 2563/4885NPC1 1266/4885RAB9A 291/4885

“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.