SCHEMBL288754

SCHEMBL288754

COC(=O)c1ccc2c(c1)CCN2c1cc(Cl)ncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 9/20 0.52
SRD5A2 P31213 6/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PRKDC P78527 1/20 0.43
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
TP53 P04637 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
CREBBP Q92793 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL299805 0.86 RXRA (0.43) SRD5A1SRD5A2KDM4EPDK1PDK2
SCHEMBL288822 0.80 SRD5A1 (0.53) SRD5A1SRD5A2MEN1KMT2APRKDC
SCHEMBL30033614 0.78 SRD5A1 (0.53) SRD5A1SRD5A2MEN1KMT2APRKDC
SCHEMBL23675212 0.78 SRD5A1 (0.53) SRD5A1SRD5A2MEN1KMT2APRKDC
SCHEMBL515774 0.78 GPR119 (0.52) SRD5A1SRD5A2GPR119
Hydrochloric Acid SCHEMBL515112 0.77 GPR119 (0.51) SRD5A1SRD5A2GPR119
SCHEMBL515765 0.76 GPR119 (0.45) SRD5A1SRD5A2GPR119
SCHEMBL288791 0.75 ROCK1 (0.61) GPR119
SCHEMBL288160 0.75 ROCK1 (0.41) GPR119RXRARXRB
SCHEMBL3238584 0.74 ROCK1 (0.47) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410089-B2 Fused heterocyclic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
EP-2427450-A1 GPR 119 MODULATORS Pfizer Inc. (US) 2012-03-14 EP disclosed
EP-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 EP disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
EP-2399914-A1 FUSED HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US 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 (3 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-20120052130-A1 GPR 119 MODULATORS GPR119, GPR39, GPR65 SRD5A1 1972/4885SRD5A2 1952/4885MEN1 3959/4885
US-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND GPR119, GPR4, GPR84 SRD5A1 327/4885SRD5A2 414/4885MEN1 2393/4885
US-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 SRD5A1 1620/4885SRD5A2 1623/4885MEN1 3847/4885

“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.