SCHEMBL3095471

SCHEMBL3095471

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 11/20 0.33
HPGD P15428 6/20 0.33
LMNA P02545 4/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HCRTR1 O43613 3/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C9 P11712 2/20 0.33
PYGL P06737 1/20 0.33
KMT2A Q03164 6/20 0.33
MEN1 O00255 5/20 0.33
TDP1 Q9NUW8 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 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
SCHEMBL3098680 0.86 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL3102132 0.84 PRKDC (0.37) NPC1RAB9AALDH1A1HPGDLMNA
SCHEMBL3107043 0.83 MAOB (0.38) NPC1RAB9AALDH1A1HPGDLMNA
SCHEMBL3106514 0.83 MAOB (0.38) NPC1RAB9AALDH1A1HPGDLMNA
SCHEMBL3107059 0.82 MAOB (0.37) NPC1RAB9AALDH1A1HPGDLMNA
SCHEMBL3102056 0.71 NPC1 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL3095575 0.70 NPC1 (0.38) NPC1RAB9AMAPTTDP1MAOB
SCHEMBL3106764 0.69 PDE4A (0.41) RAB9AALDH1A1KDM4ECYP2C9KMT2A
SCHEMBL3106571 0.69 ALDH1A1 (0.38) ALDH1A1HPGDLMNAL3MBTL1MAPT
SCHEMBL13145244 0.68 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1HPGDLMNAL3MBTL1

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.