SCHEMBL7940930

SCHEMBL7940930

Cc1ccc2c(n1)C(C)CCO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
MAP3K14 Q99558 1/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.32
PDE2A O00408 1/20 0.32
ADRA2A P08913 1/20 0.32
P2RX7 Q99572 1/20 0.32
NPC1 O15118 2/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PIR O00625 1/20 0.30
BRAF P15056 1/20 0.30
HSF1 Q00613 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30

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
SCHEMBL7916549 0.81 CCR1 (0.32) RAB9ACCR1CCR5EDNRBEDNRA
SCHEMBL29584480 0.81 RAB9A (0.33) RAB9ACCR1CCR5MAP3K14GAA
SCHEMBL24423806 0.81 RAB9A (0.33) RAB9ACCR1CCR5MAP3K14GAA
SCHEMBL10286059 0.81 MAP3K14 (0.47) RAB9ACCR1CCR5MAP3K14GAA
SCHEMBL25832673 0.78 EDNRB (0.33) EDNRBEDNRA
SCHEMBL12891533 0.71 MAP3K14 (0.38) RAB9AMAP3K14P2RX7SMN1; SMN2HTT
SCHEMBL12891532 0.71 MAP3K14 (0.38) RAB9AMAP3K14P2RX7SMN1; SMN2HTT
SCHEMBL10297720 0.71 MAP3K14 (0.38) RAB9AMAP3K14P2RX7SMN1; SMN2HTT
SCHEMBL10238798 0.68 HTR2A (0.34) RAB9ACCR1CCR5
SCHEMBL2437286 0.67 MBOAT4 (0.40) RAB9ACCR1CCR5GAAKDM4E

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
US-20110130384-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-02 US disclosed
US-20110130384-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-02 US disclosed
EP-2298731-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-23 EP disclosed
WO-2009157196-A1 AMIDE COMPOUND 武田薬品工業株式会社 (JP) 2009-12-30 WO 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-20110130384-A1 AMIDE COMPOUND GPR52, CNR2, ARRB1 RAB9A 3900/4885CCR1 465/4885CCR5 763/4885

“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.