SCHEMBL3314653

SCHEMBL3314653

COc1cc(C(=O)N2CCC(Oc3ccccc3)CC2)c(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.41
RBP4 P02753 1/20 0.40
SCD5 Q86SK9 1/20 0.39
OXTR P30559 3/20 0.38
ALDH1A1 P00352 3/20 0.38
AVPR2 P30518 1/20 0.38
AVPR1A P37288 1/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
MGLL Q99685 1/20 0.38
EPHX2 P34913 1/20 0.38
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK14 Q16539 1/20 0.37
CCR8 P51685 1/20 0.37
KCNH2 Q12809 1/20 0.37
MLNR O43193 1/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2350049 0.84 LPAR5 (0.42) SPRALDH1A1MGLLKMT2ACYP2C9
SCHEMBL3309855 0.84 HSP90AA1 (0.40) ALDH1A1MGLLKMT2AMAPK14CCR8
SCHEMBL2362947 0.83 NPC1 (0.43) ALDH1A1KMT2AGAATSHRL3MBTL1
SCHEMBL2361926 0.82 CCR8 (0.38) SPRALDH1A1MGLLKMT2AMAPK14
SCHEMBL3348570 0.82 CCR8 (0.43) SPRALDH1A1MGLLKMT2AMAPK14
SCHEMBL2362914 0.82 NPC1 (0.38) RBP4ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL2362966 0.82 HCRTR1 (0.36) RBP4MGLLCCR8KCNH2CYP3A4
SCHEMBL2362969 0.79 DRD3 (0.42) ALDH1A1MGLLKMT2AMAPK14CCR8
SCHEMBL2350724 0.78 NAPRT (0.43) ALDH1A1EPHX2CYP3A4LMNAL3MBTL1
SCHEMBL2361756 0.76 JAK2 (0.42) CCR8KCNH2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US claimed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 US claimed

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-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B SPR 1136/4885RBP4 2493/4885SCD5 4461/4885

“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.