SCHEMBL7605901

SCHEMBL7605901

CCn1nc(C2CC3CN(C(=O)OC(C)(C)C)CC3C2)cc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
CCR5 P51681 1/20 0.43
NR1H2 P55055 1/20 0.41
USP30 Q70CQ3 2/20 0.40
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
STS P08842 1/20 0.37
NAMPT P43490 1/20 0.37
KCNK3 O14649 2/20 0.37
KCNK9 Q9NPC2 2/20 0.37
BTK Q06187 3/20 0.37
ADAM17 P78536 1/20 0.36
TACR1 P25103 1/20 0.36
RORC P51449 1/20 0.36
BRD4 O60885 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
SCHEMBL5447888 0.86 CCR5 (0.50) CCR5GAATHRBSMN1; SMN2GPR119
SCHEMBL7603673 0.83 JAK2 (0.48) JAK2JAK1CCR5NR1H2USP30
SCHEMBL7605582 0.73 SMN1; SMN2 (0.41) CCR5SMN1; SMN2
SCHEMBL15803575 0.73 NR1H2 (0.55) JAK2JAK1NR1H2GPR119TACR1
SCHEMBL29024486 0.72 PRMT5 (0.46) GAATHRBSMN1; SMN2GPR119STS
SCHEMBL10320157 0.71 JAK1 (0.54) JAK2JAK1NR1H2USP30GPR119
SCHEMBL22435955 0.71 JAK1 (0.54) JAK2JAK1NR1H2USP30GPR119
SCHEMBL4875893 0.71 JAK1 (0.54) JAK2JAK1NR1H2USP30GPR119
SCHEMBL10449417 0.71 JAK1 (0.54) JAK2JAK1NR1H2USP30GPR119
SCHEMBL5451783 0.71 CCR5 (0.54) CCR5GAATHRBSMN1; SMN2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity HALE JEFFREY J (US) 2002-07-18 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 (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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CXCR1 JAK2 1989/4885JAK1 2188/4885CCR5 1/4885

“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.