SCHEMBL1390776

SCHEMBL1390776

Fc1cc(OC[C@H]2CCCO2)ccc1CBr

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
RAB9A P51151 7/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 1/20 0.42
EGLN2 Q96KS0 1/20 0.41
LMNA P02545 2/20 0.41
GPR84 Q9NQS5 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
SCN9A Q15858 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7923432 0.87 HRH3 (0.44) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1391094 0.87 RAB9A (0.46) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6991550 0.87 RAB9A (0.46) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1390650 0.87 RAB9A (0.46) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2833115 0.84 HRH3 (0.46) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL22053037 0.84 HRH3 (0.46) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8256709 0.82 RAB9A (0.49) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL22040914 0.82 RAB9A (0.49) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13862073 0.81 HRH3 (0.46) HRH3RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12496518 0.81 RAB9A (0.46) HRH3RAB9ANPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB HRH3 4667/4885RAB9A 3698/4885NPC1 978/4885

“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.