SCHEMBL3098680

SCHEMBL3098680

Cc1oc(-c2ccccc2)cc1C(O)C1CCC2(CC1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 12/20 0.35
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
HPGD P15428 5/20 0.35
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX12 P18054 1/20 0.35
LMNA P02545 4/20 0.35
PYGL P06737 1/20 0.35
SYK P43405 1/20 0.34
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL3095471 0.86 SMN1; SMN2 (0.34) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL3106571 0.84 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL3111415 0.83 ALDH1A1 (0.40) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL3095541 0.83 ALDH1A1 (0.40) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL3113043 0.82 ALDH1A1 (0.39) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL8990452 0.73 TSHR (0.43) SMN1; SMN2ALDH1A1KMT2AL3MBTL1CYP1A2
SCHEMBL3104501 0.71 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL3109648 0.70 BRD4 (0.39) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL3106796 0.70 NPC1 (0.40) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL3095713 0.70 NPC1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR SMN1; SMN2 4692/4885NPC1 3994/4885RAB9A 3790/4885

“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.